SCHEMBL24061597

SCHEMBL24061597

Cc1c(CNC(=O)c2noc(C(C)(C)C)n2)cccc1-c1ccnc2[nH]c(-c3cnn(Cc4cnc5[nH]c(-c6ccc(N(C)C)cn6)nc5c4-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.52
▸ LCK P06239 2/20 0.48

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
SCHEMBL17645932 0.82 BTK (0.64) BTKLCK
SCHEMBL17645953 0.79 BTK (0.55) BTKLCK
SCHEMBL17645740 0.77 BTK (0.83) BTKLCK
SCHEMBL17645889 0.77 BTK (0.74) BTKLCK
SCHEMBL17645668 0.77 BTK (0.72) BTKLCK
SCHEMBL17646006 0.77 BTK (0.68) BTKLCK
SCHEMBL17645741 0.76 BTK (0.81) BTKLCK
SCHEMBL17645718 0.75 BTK (0.69) BTKLCK
SCHEMBL17646010 0.75 BTK (0.81) BTKLCK
SCHEMBL17645665 0.74 BTK (0.70) BTKLCK

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-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
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