SCHEMBL3701396

SCHEMBL3701396

C/C(=N\N)c1cnn2ccc(Br)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.50
PIK3CD O00329 8/20 0.50
PIK3CB P42338 6/20 0.50
PIK3R1 P27986 2/20 0.41
EIF4A3 P38919 1/20 0.38
TGFBR1 P36897 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
EPHB3 P54753 3/20 0.33
TYK2 P29597 1/20 0.33
PDGFRA P16234 1/20 0.32
CDK5 Q00535 1/20 0.32
TYRO3 Q06418 1/20 0.32

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
SCHEMBL3701397 1.00 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3R1EIF4A3
SCHEMBL3077903 0.83 NPC1 (0.47) PIK3CAPIK3CDPIK3CBEIF4A3TGFBR1
SCHEMBL3687917 0.80 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL3687915 0.80 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL17067855 0.77 TGFBR1 (0.49) PIK3CAPIK3CDPIK3CBEIF4A3TGFBR1
SCHEMBL3089211 0.75 EIF4A3 (0.45) PIK3CAPIK3CDPIK3CBEIF4A3TGFBR1
SCHEMBL31030385 0.74 EIF4A3 (0.47) PIK3CAPIK3CDPIK3CBEIF4A3TGFBR1
SCHEMBL25158912 0.73 ALDH1A1 (0.45) PIK3CAPIK3CDPIK3CBPIK3R1EIF4A3
SCHEMBL25336177 0.73 EPHB3 (0.44) PIK3CAPIK3CDPIK3CBEIF4A3KDM4E
SCHEMBL3077855 0.73 EPHB3 (0.45) PIK3CAPIK3CDPIK3CBEIF4A3KDM4E

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
WO-2010074586-A1 PYRAZOLO[1,5-A]PYRIDINE AND IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-07-01 WO disclosed