SCHEMBL15775407

SCHEMBL15775407

COc1ccc(C2=NC(=O)c3cccc(N)c3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
PARP1 P09874 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
Bromide SCHEMBL15775416 0.86 ADORA1 (0.43) NPC1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL15775739 0.85 TNKS (0.40) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL15775366 0.85 RAB9A (0.38) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL15775756 0.84 ALDH1A1 (0.42) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL15775665 0.83 ALDH1A1 (0.40) NPC1RAB9AMAPTSMN1; SMN2PARP1
Bromide SCHEMBL15775323 0.81 TYR (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL15775431 0.81 NOTUM (0.38) NPC1RAB9AMAPTSMN1; SMN2TP53
Bromide SCHEMBL15775833 0.81 RXFP1 (0.34) NPC1RAB9AMAPTSMN1; SMN2PARP1
SCHEMBL15775318 0.80 HTR7 (0.42) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15775307 0.80 UGCG (0.41) RAB9AMAPTSMN1; SMN2ALDH1A1KDM4E

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed