SCHEMBL12683025

SCHEMBL12683025

CCc1nc2ccc(F)cc2n1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMI1 P35226 3/20 0.47
PIK3CD O00329 1/20 0.46
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
RAB9A P51151 2/20 0.44
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
PDE10A Q9Y233 3/20 0.42
PDE2A O00408 2/20 0.42
DRD4 P21917 1/20 0.41
MAPK14 Q16539 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRM2 Q14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL12682814 0.85 PIK3CD (0.43) BMI1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL8417967 0.83 GRM2 (0.50) BMI1RAB9APDE10AGRM2MEN1
SCHEMBL10816256 0.81 PDE10A (0.54) BMI1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL12472856 0.79 PIK3CD (0.54) BMI1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL11901798 0.79 PIK3CD (0.54) BMI1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL11900852 0.77 PIK3CD (0.59) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2506882 0.77 PIK3CD (0.59) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL12473083 0.76 BMI1 (0.47) BMI1PIK3CDPIK3R1PIK3CBPIK3CG
Hydrochloric Acid SCHEMBL12473211 0.76 PIK3CD (0.58) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL17938212 0.74 MAP3K14 (0.41) BMI1RAB9ACYP11B2CYP11B1CYP1A2

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-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed