SCHEMBL7780508

SCHEMBL7780508

CC(=O)OCC(Nc1ncnc2nc[nH]c12)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HSD17B10 Q99714 3/20 0.59
LMNA P02545 2/20 0.59
BRD4 O60885 3/20 0.50
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
PIK3CD O00329 6/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
NT5C2 P49902 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL7780505 0.83 RPS6KB1 (0.48)
SCHEMBL7778364 0.82 CREBBP (0.49) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL6016697 0.81 LMNA (0.66) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL6016698 0.81 LMNA (0.66) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL7778558 0.80 SMN1; SMN2 (0.64) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL7773692 0.78 LMNA (0.65) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL7778556 0.76 SMN1; SMN2 (0.44) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL27881279 0.75 LMNA (1.00) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL7781149 0.75 LMNA (0.63) SMN1; SMN2HSD17B10LMNABRD4TSHR
SCHEMBL7780684 0.72 EGFR (0.62) LMNAHDAC11HDAC8HDAC6HDAC3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP claimed
CN-1198158-A Bicyclic 4-aralkylaminopyrimidine derivatives as tyrosine kinase inhibitors PHARMACIA & UPJOHN SPA (IT) 1998-11-04 CN claimed
EP-0853616-A1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1998-07-22 EP claimed
WO-1997049689-A1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO claimed
EP-0853616-B1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 2001-09-19 EP disclosed
US-6057326-A USED FOR TREATING EPIDERMAL HYPERPROLIFERATION, AS AN ANTI-METASTATIC OR ANTI-CANCER AGENT, TO CONTROL ANGIOGENESIS, INHIBIT DEVELOPMENT OF ATHEROMATOUS PLAQUE, TREATING ALZHEIMER'S DISEASE, OR AS AN IMMUNOMODULATING AGENT PHARMACIA & UPJOHN S.P.A (IT) 2000-05-02 US disclosed
CN-1198158-A Bicyclic 4-aralkylaminopyrimidine derivatives as tyrosine kinase inhibitors PHARMACIA & UPJOHN SPA (IT) 1998-11-04 CN disclosed
EP-0853616-A1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1998-07-22 EP disclosed
WO-1997049689-A1 BICYCLIC 4-ARALKYLAMINOPYRIMIDINE DERIVATIVES AS TYROSINE KINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO disclosed