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Sugi Predict / Compounds / SCHEMBL26073296

SCHEMBL26073296

SCHEMBL26073296

C=CC(=O)c1cc2c(cn1)C(NC(=O)OC(C)(C)C)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.35
▸ CNR2 P34972 3/20 0.33
▸ SYK P43405 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ CD69 Q07108 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL20683066 0.87 BTK (0.39) BTKCNR2GAACD69ALDH1A1
SCHEMBL29766427 0.87 BTK (0.39) BTKCNR2GAACD69ALDH1A1
SCHEMBL26073300 0.86 BTK (0.34) BTKCNR2GAAF2RCD69
SCHEMBL29766231 0.86 BTK (0.34) BTKCNR2GAAF2RCD69
SCHEMBL25489102 0.86 BTK (0.34) BTKCNR2GAAF2RCD69
SCHEMBL29766403 0.83 BTK (0.36) BTKCNR2ALDH1A1TSHRCYP3A4
SCHEMBL20683056 0.83 BTK (0.36) BTKCNR2ALDH1A1TSHRCYP3A4
SCHEMBL20683042 0.79 KMT2A (0.34) BTKALDH1A1CYP3A4CYP2C9
SCHEMBL20533283 0.75 BTK (0.34) BTK
SCHEMBL30522345 0.75 BTK (0.34) BTK

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-4249071-A2 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2023-09-27 — — EP disclosed