SCHEMBL7469378

SCHEMBL7469378

COc1ccc(Nc2nccc(-c3ccccn3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.62
PIK3CB P42338 3/20 0.62
PIK3CG P48736 3/20 0.62
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
CDK5 Q00535 2/20 0.60
CDK5R1 Q15078 1/20 0.60
AKT1 P31749 1/20 0.60
KDR P35968 1/20 0.60
PLK1 P53350 1/20 0.60
PTK2 Q05397 1/20 0.60
AURKB Q96GD4 1/20 0.60
IKBKB O14920 2/20 0.59
SYK P43405 5/20 0.55

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
SCHEMBL7466253 0.85 PIK3CG (0.71) PIK3CAPIK3CBPIK3CGMAPK1CDK5
SCHEMBL7470857 0.84 ABL1 (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4901565 0.82 MEN1 (0.59) MEN1KMT2ASYK
SCHEMBL10977837 0.82 PIK3CG (0.78) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL7464407 0.81 SYK (0.59) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL4894535 0.81 SYK (0.62) PLK1IKBKBSYKCDK2
SCHEMBL7460307 0.81 SYK (0.55) SYK
SCHEMBL7476302 0.81 CDK2 (0.58) AURKBIKBKBSYKCDK2
SCHEMBL27116184 0.81 SYK (0.65) PIK3CAPIK3CBPIK3CGMEN1KMT2A
SCHEMBL4899553 0.80 ABL1 (0.61) PIK3CAPIK3CBPIK3CGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed