SCHEMBL20144248

SCHEMBL20144248

CC(=O)N1CC[C@]2(C1)C[C@@H](n1nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc31)C2

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.82

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
SCHEMBL20144232 1.00 BTK (0.82) BTK
SCHEMBL16123023 0.90 BTK (0.77) BTK
SCHEMBL16075001 0.90 BTK (0.77) BTK
SCHEMBL16074980 0.90 BTK (1.00) BTK
SCHEMBL16074993 0.90 BTK (1.00) BTK
SCHEMBL16074999 0.90 BTK (0.77) BTK
SCHEMBL20144265 0.89 BTK (0.87) BTK
SCHEMBL20144266 0.89 BTK (0.87) BTK
SCHEMBL16075029 0.88 BTK (1.00) BTK
SCHEMBL16074996 0.88 BTK (1.00) 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-2970300-B1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP disclosed