SCHEMBL17670785

SCHEMBL17670785

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5ccc(N6CC[C@H](O)[C@@H](O)C6)cn5)nc34)cc2F)n1.CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5ccc(N6CC[C@H](O)[C@@H](O)C6)cn5)nc34)cc2F)n1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.56
▸ LCK P06239 2/20 0.55

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
SCHEMBL17646035 1.00 BTK (0.56) BTKLCK
SCHEMBL17645742 0.91 BTK (0.57) BTKLCK
SCHEMBL17664630 0.89 BTK (0.57) BTKLCK
SCHEMBL17645864 0.89 BTK (0.56) BTKLCK
SCHEMBL17645738 0.86 BTK (0.44) BTKLCK
SCHEMBL17646023 0.85 BTK (0.47) BTKLCK
SCHEMBL17646059 0.83 BTK (0.68) BTKLCK
SCHEMBL17646018 0.83 BTK (0.59) BTKLCK
SCHEMBL17645677 0.83 BTK (0.63) BTKLCK
SCHEMBL17645787 0.83 BTK (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 — — EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
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