SCHEMBL25219282

SCHEMBL25219282

Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)ccc(-c2ccncc2N2CCCC(N(C)C(=O)O)C2)c1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.42
▸ LCK P06239 1/20 0.40
▸ ATR Q13535 2/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ DDR1 Q08345 2/20 0.31

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
SCHEMBL25223230 0.92 BTK (0.40) BTKLCKATRDGAT2ROCK2
SCHEMBL29418308 0.92 BTK (0.40) BTKLCKATRDGAT2ROCK2
SCHEMBL29418421 0.92 BTK (0.41) BTKLCKATRDGAT2
SCHEMBL25251255 0.88 BTK (0.45) BTKLCKDGAT2
SCHEMBL25214645 0.88 BTK (0.42) BTKLCKATRROCK2OPRM1
Hydrochloric Acid SCHEMBL29418469 0.87 BTK (0.43) BTKLCKROCK2
Hydrochloric Acid SCHEMBL29418491 0.87 BTK (0.43) BTKLCKROCK2
Hydrochloric Acid SCHEMBL25215417 0.87 BTK (0.43) BTKLCKROCK2
SCHEMBL29124699 0.84 BTK (0.43) BTKLCK
SCHEMBL25220113 0.81 BTK (0.43) BTKLCKDGAT2

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-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
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