SCHEMBL17065748

SCHEMBL17065748

N#C/C(=C/C1CC1)C(=O)N1CC2CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2C1

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
SCHEMBL17065715 1.00 BTK (0.82) BTK
SCHEMBL17065771 1.00 BTK (0.82) BTK
SCHEMBL16194618 0.90 BTK (0.92) BTK
SCHEMBL16194620 0.90 BTK (0.92) BTK
SCHEMBL16194619 0.90 BTK (0.92) BTK
SCHEMBL13978438 0.90 BTK (0.92) BTK
SCHEMBL13860937 0.90 BTK (1.00) BTK
SCHEMBL13860936 0.90 BTK (1.00) BTK
SCHEMBL13978147 0.90 BTK (1.00) BTK
SCHEMBL17073881 0.89 BTK (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102579-A2 HETEROCYCLIC COMPOUNDS Cadila Healthcare Limited (IN) 2016-12-14 EP claimed
WO-2015132799-A2 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2015-09-11 WO claimed