SCHEMBL25214645

SCHEMBL25214645

Cc1c(CNC(=O)c2nc(C(C)(C)C)no2)ccc(-c2ccncc2N2CCCC(N(C)C(=O)O)C2)c1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.42
▸ LCK P06239 1/20 0.40
▸ ATR Q13535 1/20 0.34
▸ ROCK2 O75116 3/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL29418416 0.93 BTK (0.41) BTKLCKATRROCK2
SCHEMBL25224087 0.93 BTK (0.41) BTKLCKATRROCK2
SCHEMBL29418564 0.92 BTK (0.42) BTKLCKATR
SCHEMBL29418486 0.92 BTK (0.42) BTKLCKATR
SCHEMBL25240201 0.88 BTK (0.44) BTKLCK
SCHEMBL25219282 0.88 BTK (0.42) BTKLCKATRROCK2OPRM1
Hydrochloric Acid SCHEMBL25224200 0.87 BTK (0.43) BTKLCKROCK2
Hydrochloric Acid SCHEMBL29418328 0.87 BTK (0.43) BTKLCKROCK2
SCHEMBL29124731 0.84 BTK (0.42) BTKLCK
SCHEMBL25223230 0.81 BTK (0.40) BTKLCKATRROCK2

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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