SCHEMBL29533525

SCHEMBL29533525

Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)c(F)cc1CNC(=O)c1nc(C(C)(C)C)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.53
▸ LCK P06239 1/20 0.47
▸ MAPK14 Q16539 5/20 0.42
▸ GSK3B P49841 5/20 0.42
▸ ABL1 P00519 2/20 0.40
▸ CDK1 P06493 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDK3 Q00526 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39

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
SCHEMBL22659808 1.00 BTK (0.53) BTKLCKMAPK14GSK3BABL1
SCHEMBL22664846 0.89 BTK (0.51) BTKLCKMAPK14GSK3BABL1
Hydrochloric Acid SCHEMBL22659441 0.88 BTK (0.51) BTKLCKMAPK14GSK3BABL1
Hydrochloric Acid SCHEMBL29533241 0.88 BTK (0.51) BTKLCKMAPK14GSK3BABL1
SCHEMBL22659452 0.88 BTK (0.53) BTKLCKMAPK14GSK3BABL1
SCHEMBL29533081 0.88 BTK (0.53) BTKLCKMAPK14GSK3BABL1
SCHEMBL29533826 0.88 BTK (0.53) BTKLCKMAPK14GSK3BCDK1
SCHEMBL22659710 0.88 BTK (0.53) BTKLCKMAPK14GSK3BCDK1
SCHEMBL22659379 0.86 BTK (0.52) BTKLCKMAPK14GSK3BABL1
SCHEMBL29533591 0.86 BTK (0.52) BTKLCKMAPK14GSK3BABL1

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-3969124-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2022-03-23 — — EP disclosed
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