SCHEMBL22659720

SCHEMBL22659720

Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)c(F)cc1CNC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.49
▸ MAPK14 Q16539 7/20 0.49
▸ GSK3A P49840 3/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CDK3 Q00526 2/20 0.48
▸ CDK5 Q00535 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ ABL1 P00519 2/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ MAPK8 P45983 2/20 0.46
▸ MAPK10 P53779 2/20 0.46

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
SCHEMBL22664610 0.88 GSK3B (0.45) GSK3BMAPK14GSK3ACDK1CDK2
SCHEMBL29533271 0.88 GSK3B (0.45) GSK3BMAPK14GSK3ACDK1CDK2
Hydrochloric Acid SCHEMBL22659461 0.87 GSK3B (0.50) GSK3BMAPK14GSK3ACDK1CDK2
Hydrochloric Acid SCHEMBL29533430 0.87 GSK3B (0.50) GSK3BMAPK14GSK3ACDK1CDK2
SCHEMBL22659961 0.84 GSK3B (0.48) GSK3BMAPK14GSK3ACDK1CDK2
SCHEMBL22659808 0.82 BTK (0.53) GSK3BMAPK14GSK3ACDK1CDK2
SCHEMBL29533525 0.82 BTK (0.53) GSK3BMAPK14GSK3ACDK1CDK2
SCHEMBL29533591 0.82 BTK (0.52) GSK3BMAPK14GSK3ACDK1CDK2
SCHEMBL22659379 0.82 BTK (0.52) GSK3BMAPK14GSK3ACDK1CDK2
SCHEMBL22659397 0.81 GSK3B (0.47) GSK3BMAPK14GSK3ACDK1CDK2

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-2020232330-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. (US) 2020-11-19 — — WO disclosed
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