SCHEMBL23408943

SCHEMBL23408943

Cc1cnccc1Nc1nc(NC2CCOCC2)ncc1Cl

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.67
▸ MAPK3 P27361 4/20 0.67
▸ CCNA2 P20248 3/20 0.52
▸ CDK2 P24941 3/20 0.52
▸ CDK9 P50750 8/20 0.50
▸ CCNK O75909 3/20 0.50
▸ CCND3 P30281 3/20 0.50
▸ CDK6 Q00534 3/20 0.50
▸ CDK7 P50613 6/20 0.48
▸ PTK2 Q05397 1/20 0.46
▸ AOC3 Q16853 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45

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
SCHEMBL23409118 0.87 MAPK3 (0.67) MAPK1MAPK3CDK9CDK7PTK2
SCHEMBL25068863 0.86 MAPK3 (0.66) MAPK1MAPK3CDK9CDK7PTK2
SCHEMBL25068864 0.86 MAPK3 (0.64) MAPK1MAPK3CCNA2CDK2CDK9
SCHEMBL25068958 0.86 MAPK1 (0.64) MAPK1MAPK3CCNA2CDK2CDK9
SCHEMBL24867263 0.82 MAPK1 (0.56) MAPK1MAPK3AOC3KCNH2
SCHEMBL23408957 0.78 MAPK1 (0.53) MAPK1MAPK3CDK9CDK7PTK2
SCHEMBL23388552 0.78 MAPK3 (0.63) MAPK1MAPK3CDK9CDK7PTK2
SCHEMBL30394867 0.78 CDK9 (0.65) MAPK1MAPK3CCNA2CDK2CDK9
SCHEMBL29499572 0.76 MAPK1 (0.56) MAPK1MAPK3CDK9CDK7PTK2
SCHEMBL28744841 0.76 MAPK1 (0.56) MAPK1MAPK3CDK9CDK7PTK2

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-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 — — WO disclosed
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