SCHEMBL459414

SCHEMBL459414

c1ccc(Nc2nc(Nc3ccccc3)c3[nH]cnc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.68
ADORA2A P29274 4/20 0.68
ADORA1 P30542 4/20 0.68
CDK2 P24941 5/20 0.67
NEK2 P51955 2/20 0.66
CHEK1 O14757 2/20 0.66
SRC P12931 2/20 0.66
CDK1 P06493 2/20 0.66
AURKA O14965 1/20 0.66
CHEK2 O96017 1/20 0.66
ABL1 P00519 1/20 0.66
LCK P06239 1/20 0.66
FYN P06241 1/20 0.66
LYN P07948 1/20 0.66
MET P08581 1/20 0.66
RPS6KB1 P23443 1/20 0.66
MAPK3 P27361 1/20 0.66
MAPK1 P28482 1/20 0.66
AKT2 P31751 1/20 0.66
CSNK1D P48730 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7112087 0.92 CDK2 (0.62) ADORA3ADORA2AADORA1CDK2NEK2
SCHEMBL7110005 0.85 BRAF (0.60) ADORA3ADORA2AADORA1CDK2BRAF
SCHEMBL16146541 0.83 TNNI3K (0.62) ADORA3ADORA2AADORA1CDK2SRC
SCHEMBL3007353 0.83 SRC (0.56) ADORA3ADORA2AADORA1CDK2NEK2
SCHEMBL8539783 0.83 CDK2 (0.64) ADORA3ADORA2AADORA1CDK2NEK2
SCHEMBL16147002 0.83 CDK2 (0.64) ADORA3ADORA2AADORA1CDK2NEK2
SCHEMBL16146744 0.83 BRAF (0.58) ADORA3ADORA2AADORA1CDK2NEK2
SCHEMBL11015321 0.83 SRC (0.56) ADORA3ADORA2AADORA1CDK2SRC
SCHEMBL5355413 0.83 BRAF (0.73) CDK1BRAF
SCHEMBL3001381 0.83 TNNI3K (0.61) SRCBRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200435-B1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2003-10-01 EP claimed
US-6589950-B1 Treatment of inflammatory or obstructive airways disease for respiratory system disorders NOVARTIS AG (CH) 2003-07-08 US claimed
JP-2003506375-A 2003-02-18 JP claimed
EP-1200435-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK Novartis AG (CH) 2002-05-02 EP claimed
WO-2001009134-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2001-02-08 WO claimed
EP-3149207-A2 ACTIVATING JAK KINASE BIOMARKERS PREDICTIVE OF ANTI-IMMUNE CHECKPOINT INHIBITOR RESPONSE Dana-Farber Cancer Institute, Inc. (US) 2017-04-05 EP disclosed
EP-3004388-A2 DETECTION AND QUANTIFICATION OF DONOR CELL-FREE DNA IN THE CIRCULATION OF ORGAN TRANSPLANT RECIPIENTS Chronix Biomedical (US) 2016-04-13 EP disclosed
WO-2015184061-A2 ACTIVATING JAK KINASE BIOMARKERS PREDICTIVE OF ANTI-IMMUNE CHECKPOINT INHIBITOR RESPONSE DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-12-03 WO disclosed
WO-2014194113-A2 DETECTION AND QUANTIFICATION OF DONOR CELL-FREE DNA IN THE CIRCULATION OF ORGAN TRANSPLANT RECIPIENTS CHRONIX BIOMEDICAL (US) 2014-12-04 WO disclosed
WO-2012012710-A2 RADIATION SENSITIZATION AGENTS FOR PROSTATE CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2012-01-26 WO disclosed
WO-2011011710-A1 METHODS OF TREATING VIRAL INFECTIONS CHIMERIX, INC. (US) 2011-01-27 WO disclosed
EP-1390497-A2 HUMAN CDNAS AND PROTEINS AND USES THEREOF Genset (FR) 2004-02-25 EP disclosed
EP-1200435-B1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2003-10-01 EP disclosed
US-6589950-B1 Treatment of inflammatory or obstructive airways disease for respiratory system disorders NOVARTIS AG (CH) 2003-07-08 US disclosed
WO-2002094864-A2 HUMAN CDNAS AND PROTEINS AND USES THEREOF GENSET S.A. (FR) 2002-11-28 WO disclosed
EP-1200435-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK Novartis AG (CH) 2002-05-02 EP disclosed
WO-2001009134-A1 PURINE DERIVATIVES INHIBITORS OF TYROSINE PROTEIN KINASE SYK NOVARTIS AG (CH) 2001-02-08 WO disclosed