SCHEMBL3684977

SCHEMBL3684977

CC(=O)c1cnn2ccc(C#N)cc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.47
PIK3CA P42336 12/20 0.47
PIK3CB P42338 7/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
PIK3R1 P27986 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHB3 P54753 1/20 0.39

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
SCHEMBL3689503 0.84 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3R1EPHB3
SCHEMBL3687917 0.84 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL3687915 0.84 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL17453430 0.80 EIF4A3 (0.43) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL13139955 0.80 EPHB3 (0.56) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL3606337 0.80 NPC1 (0.45) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL3077986 0.78 NPC1 (0.44) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL3077903 0.78 NPC1 (0.47) PIK3CDPIK3CAPIK3CBNPC1RAB9A
SCHEMBL26765489 0.78 EPHB3 (0.58) NPC1RAB9AKDM4ETP53ALDH1A1
SCHEMBL17324605 0.76 EPHB3 (0.59) NPC1RAB9AKDM4ETP53ALDH1A1

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 3 patents. 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
EP-2188292-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D]PYRIMIDIN-4-YL) AMINO]BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2010-05-26 EP disclosed
WO-2009020990-A1 2- [ (2-{PHENYLAMINO}-1H-PYRROLO [2, 3-D] PYRIMIDIN-4-YL) AMINO] BENZAMIDE DERIVATIVES AS IGF-1R INHIBITORS FOR THE TREATMENT OF CANCER SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed