SCHEMBL29418308

SCHEMBL29418308

C=CC(=O)N(C)C1CCCN(c2cnccc2-c2ccc(CNC(=O)c3noc(C(C)(C)C)n3)c(C)c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.40
▸ LCK P06239 1/20 0.38
▸ ATR Q13535 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ DGAT2 Q96PD7 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
SCHEMBL25223230 1.00 BTK (0.40) BTKLCKATREGFRJAK3
SCHEMBL25219282 0.92 BTK (0.42) BTKLCKATRROCK2DGAT2
SCHEMBL29418421 0.90 BTK (0.41) BTKLCKATRDGAT2
SCHEMBL29418348 0.89 BTK (0.43) BTKLCKDGAT2
SCHEMBL25220113 0.89 BTK (0.43) BTKLCKDGAT2
SCHEMBL25224087 0.89 BTK (0.41) BTKLCKATREGFRJAK3
SCHEMBL29418416 0.89 BTK (0.41) BTKLCKATREGFRJAK3
Hydrochloric Acid SCHEMBL25215417 0.84 BTK (0.43) BTKLCKROCK2
Hydrochloric Acid SCHEMBL29418469 0.84 BTK (0.43) BTKLCKROCK2
Hydrochloric Acid SCHEMBL29418491 0.84 BTK (0.43) BTKLCKROCK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
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