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SCHEMBL30387233

SCHEMBL30387233

COc1ccnc2c(-c3ccccn3)c(-c3ccnc(NC(C)=O)c3)n(COCC[Si](C)(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ TGFBR1 P36897 6/20 0.40
▸ TGFBR2 P37173 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ RIPK3 Q9Y572 1/20 0.39
▸ BUB1 O43683 1/20 0.38
▸ NR3C2 P08235 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
SCHEMBL25241528 1.00 MAPK14 (0.41) MAPK14MAPK10TGFBR1TGFBR2CYP3A4
SCHEMBL30387728 0.90 BUB1 (0.41) MAPK14MAPK10TGFBR1TGFBR2RIPK3
SCHEMBL30387491 0.90 TGFBR1 (0.41) MAPK14MAPK10TGFBR1TGFBR2CYP3A4
SCHEMBL25224714 0.90 BUB1 (0.41) MAPK14MAPK10TGFBR1TGFBR2RIPK3
SCHEMBL25202926 0.90 TGFBR1 (0.41) MAPK14MAPK10TGFBR1TGFBR2CYP3A4
SCHEMBL25206334 0.88 MAPK14 (0.45) MAPK14
SCHEMBL30387494 0.88 MAPK14 (0.45) MAPK14
SCHEMBL25211191 0.87 MAPK14 (0.42) MAPK14MAPK10TGFBR1TGFBR2RIPK3
SCHEMBL30387706 0.87 MAPK14 (0.42) MAPK14MAPK10TGFBR1TGFBR2RIPK3
SCHEMBL25217236 0.87 TGFBR1 (0.40) MAPK14MAPK10TGFBR1TGFBR2RIPK3

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
EP-4188928-A1 SUBSTITUTED 1 H-PYRROLO[3,2-B]PYRIDIN COMPOUNDS AND METHODS OF USE THEREOF Bayer Aktiengesellschaft (DE) 2023-06-07 — — EP disclosed