SCHEMBL28039302

SCHEMBL28039302

COCc1cccc(-c2nccn2C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.46
POLB P06746 1/20 0.42
FFAR1 O14842 11/20 0.42
PTGS2 P35354 1/20 0.41
NMT1 P30419 1/20 0.40
DYRK1A Q13627 1/20 0.39
PDK1 Q15118 1/20 0.39
RIPK2 O43353 1/20 0.38
ERN1 O75460 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
SCHEMBL21177151 0.82 KARS1 (0.43) POLBFFAR1NMT1PDK1RIPK2
SCHEMBL29129758 0.81 FFAR1 (0.47) POLBFFAR1PDK1RIPK2
SCHEMBL14412223 0.81 NMT1 (0.52) TGFBR1NMT1RIPK2
SCHEMBL12759448 0.77 TGFBR1 (0.48) TGFBR1POLBNMT1RIPK2
SCHEMBL5362756 0.77 DYRK1A (0.56) POLBFFAR1DYRK1A
SCHEMBL29711750 0.76 HSD17B2 (0.48) NMT1PDK1RIPK2
SCHEMBL2616608 0.76 HSD17B2 (0.48) NMT1PDK1RIPK2
SCHEMBL17264894 0.76 NMT1 (0.52) TGFBR1NMT1RIPK2
SCHEMBL23571873 0.75 F2 (0.49) POLBNMT1DYRK1ARIPK2
SCHEMBL29644212 0.75 AGXT (0.55) TGFBR1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164125-A 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives HOFFMANN LA ROCHE 2015-12-16 CN claimed
CN-105164125-A 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives HOFFMANN LA ROCHE 2015-12-16 CN disclosed