SCHEMBL27452620

SCHEMBL27452620

C[C@@H](NC(=O)c1nc(C(C)(C)C)no1)c1ccc(-c2ccnc3[nH]c(-c4cnn(C)c4)nc23)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.53
▸ LCK P06239 2/20 0.53
▸ KCNH2 Q12809 1/20 0.51
▸ CD69 Q07108 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL27452619 1.00 BTK (0.53) BTKLCKKCNH2CD69CYP3A4
SCHEMBL27459174 0.93 BTK (0.48) BTKLCKKCNH2CD69CYP3A4
SCHEMBL27452454 0.92 BTK (0.53) BTKLCKKCNH2CYP2C9
SCHEMBL27452456 0.92 BTK (0.53) BTKLCKKCNH2CYP2C9
SCHEMBL27452241 0.85 BTK (0.68) BTKLCKKCNH2
SCHEMBL27452458 0.81 BTK (0.67) BTKLCKKCNH2
SCHEMBL17660318 0.80 BTK (0.80) BTKLCKKCNH2CD69CYP3A4
SCHEMBL17645895 0.79 BTK (0.81) BTKLCK
SCHEMBL17645727 0.79 BTK (0.78) BTKLCKKCNH2CD69CYP3A4
SCHEMBL30950600 0.78 BTK (0.68) BTKLCKKCNH2

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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