SCHEMBL483673

SCHEMBL483673

Nc1nc2cccc(-c3cccnc3)c2c2[nH]cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.41
MAPK1 P28482 3/20 0.40
TDO2 P48775 1/20 0.39
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
NTRK1 P04629 1/20 0.37
PIK3CA P42336 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP3A4 P08684 2/20 0.36
NUDT1 P36639 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
BRD4 O60885 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PTK2 Q05397 1/20 0.36
CYP2A6 P11509 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3864343 0.86 ADORA3 (0.41) KCNH2CDK5BRD4
SCHEMBL3516564 0.76 QPCT (0.50) QPCTQPCTLPIK3CADYRK1ACDK5
SCHEMBL8571306 0.73 PARP1 (0.46) BRD4
SCHEMBL311681 0.71 PRMT5 (0.42) CYP3A4BRD4HSP90AA1MKNK1MKNK2
SCHEMBL30413516 0.71 PRMT5 (0.42) CYP3A4BRD4HSP90AA1MKNK1MKNK2
SCHEMBL25958200 0.70 ELANE (0.46) PIK3CAMEN1
SCHEMBL21712343 0.70 ABL1 (0.59) KCNH2BRD4MEN1
SCHEMBL10444208 0.70 ABL1 (0.37) KCNH2
SCHEMBL8727251 0.70 ELANE (0.39) MAPK1KCNH2PIK3CACYP3A4NUDT1
SCHEMBL29960424 0.70 QPCT (0.51) MAPK1TDO2QPCTQPCTLDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411521-A1 COMPOSITIONS FOR STIMULATION OF MAMMALIAN INNATE IMMUNE RESISTANCE TO PATHOGENS The Board of Regents of The University of Texas System (US) 2012-02-01 EP disclosed
WO-2010111485-A1 COMPOSITIONS FOR STIMULATION OF MAMMALIAN INNATE IMMUNE RESISTANCE TO PATHOGENS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-09-30 WO disclosed