SCHEMBL29907181

SCHEMBL29907181

COc1cc2c(nc1Cl)c(-c1cnn(C)c1)nn2C(=O)OC(C)(C)C.COc1cc2c(nc1Cl)c(I)nn2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.37
RET P07949 3/20 0.35
PGK1 P00558 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
AURKA O14965 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PIK3CD O00329 1/20 0.33
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 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
SCHEMBL23210931 0.95 TTK (0.40) TTKRETPGK1GPR119CCNA2
SCHEMBL29907124 0.95 TTK (0.40) TTKRETPGK1GPR119CCNA2
SCHEMBL23236535 0.86 SUV39H2 (0.35)
SCHEMBL26632174 0.83 TTK (0.41) TTKRETGPR119CCNA2CDK2
SCHEMBL23210978 0.82 PGK1 (0.40) TTKPGK1CCNA2CDK2LRRK2
SCHEMBL23263988 0.79 TTK (0.42) TTKRETCCNA2CDK2AURKA
SCHEMBL23210988 0.74 RET (0.37) TTKRETGPR119ACVR2ATGFBR2
SCHEMBL29907198 0.74 RET (0.37) TTKRETGPR119ACVR2ATGFBR2
SCHEMBL26632173 0.73 FAAH (0.34) DYRK1A
SCHEMBL20804310 0.73 RET (0.42) TTKRETGPR119GSK3BDYRK1A

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-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed