SCHEMBL27440806

SCHEMBL27440806

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5ccccc5)nc34)cc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.52
▸ LCK P06239 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL27458164 0.91 BTK (0.50) BTKLCKKDM4EMAPTKMT2A
SCHEMBL30950455 0.91 BTK (0.50) BTKLCKKDM4EMAPTKMT2A
SCHEMBL27440916 0.91 BTK (0.52) BTKLCKKCNH2
SCHEMBL27441047 0.89 BTK (0.51) BTKLCKKCNH2
SCHEMBL30950467 0.88 BTK (0.48) BTKLCKKDM4EMAPTKMT2A
SCHEMBL27454925 0.88 BTK (0.50) BTKLCKKCNH2
SCHEMBL27452241 0.88 BTK (0.68) BTKLCKKCNH2
SCHEMBL27454924 0.88 BTK (0.50) BTKLCKKDM4EMAPTKMT2A
SCHEMBL27454858 0.87 BTK (0.52) BTKLCKKCNH2
SCHEMBL30950488 0.87 BTK (0.47) BTKLCKKDM4EMAPTKMT2A

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
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
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