SCHEMBL29429962

SCHEMBL29429962

CSc1nc(-c2cccc(N)c2)c(-c2ccnc(Nc3ccccc3)c2)n1COCC[Si](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.57
MAPK10 P53779 5/20 0.47
MAPK13 O15264 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
EGFR P00533 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL26965221 1.00 MAPK14 (0.57) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL26965273 0.87 MAPK14 (0.54) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL26965257 0.86 MAPK14 (0.57) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL29429988 0.86 MAPK14 (0.57) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL26965125 0.84 MAPK14 (0.56) MAPK14MAPK10
SCHEMBL29429909 0.83 MAPK14 (0.46) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL26965202 0.81 MAPK14 (0.54) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL26965249 0.80 EGFR (0.61) MAPK14MAPK10EGFR
SCHEMBL29429950 0.80 EGFR (0.61) MAPK14MAPK10EGFR
SCHEMBL26965252 0.79 MAPK14 (0.37) MAPK14MAPK10MAPK13MAPK12MAPK11

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-2022067063-A1 MUTANT SELECTIVE EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-03-31 WO disclosed