SCHEMBL29907198

SCHEMBL29907198

COc1cc2c(nc1-c1cccc3c1CCC3O)c(-c1cnn(C)c1)nn2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.37
IRAK1 P51617 1/20 0.35
ACVR2A P27037 1/20 0.34
TGFBR2 P37173 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
TTK P33981 2/20 0.34
USP30 Q70CQ3 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL23210988 1.00 RET (0.37) RETIRAK1ACVR2ATGFBR2GPR119
SCHEMBL23211121 0.81 PRKAB2 (0.32) RETTTK
SCHEMBL29907098 0.81 PRKAB2 (0.32) RETTTK
SCHEMBL29907124 0.78 TTK (0.40) RETACVR2ATGFBR2GPR119TTK
SCHEMBL23210931 0.78 TTK (0.40) RETACVR2ATGFBR2GPR119TTK
SCHEMBL23211115 0.78 TTK (0.41) RETTTK
SCHEMBL30308777 0.78 TTK (0.41) RETTTK
SCHEMBL23211008 0.78 TTK (0.38) RETTTK
SCHEMBL23211112 0.78 TTK (0.41) RETTTK
SCHEMBL29907183 0.78 TTK (0.41) RETTTK

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-115835908-A Bicyclic heterocycles as FGFR inhibitors 因赛特公司 2023-03-21 CN disclosed
EP-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed