SCHEMBL24554191

SCHEMBL24554191

CN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC(O)C(C)(C)C)c3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.40
▸ MAPK10 P53779 1/20 0.39
▸ CSNK1D P48730 3/20 0.38
▸ CSNK1E P49674 2/20 0.38
▸ EGFR P00533 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37

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
SCHEMBL24554165 0.90 MAPK14 (0.43) MAPK14MAPK10CSNK1DCSNK1EEGFR
SCHEMBL24554397 0.87 MAPK14 (0.44) MAPK14MAPK10CSNK1DCSNK1E
SCHEMBL24554168 0.87 KCNK3 (0.38) MAPK14MAPK10CSNK1DCSNK1E
SCHEMBL24554390 0.86 EGFR (0.40) MAPK14MAPK10CSNK1DCSNK1EEGFR
SCHEMBL24554229 0.84 MAPK14 (0.41) MAPK14MAPK10CSNK1DCSNK1E
SCHEMBL24554150 0.83 NR3C2 (0.44) MAPK14CSNK1DCSNK1E
SCHEMBL29683274 0.83 NR3C2 (0.44) MAPK14CSNK1DCSNK1E
SCHEMBL24554157 0.83 MAPK14 (0.38) MAPK14MAPK10CSNK1DEGFRRAF1
SCHEMBL24553697 0.82 MAPK14 (0.53) MAPK14MAPK10CSNK1D
SCHEMBL25223642 0.82 NR3C2 (0.46) MAPK14MAPK10CSNK1DCSNK1E

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-2022127756-A1 COMPOUNDS AS CASEIN KINASE INHIBITORS Gritscience Biopharmaceuticals Co., Ltd. (CN) 2022-06-23 — — WO disclosed
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