SCHEMBL123116

SCHEMBL123116

COc1cc(-c2c(C3CCSC(O)(O)C3)c(C3CCCC3)n3ncnc(N)c23)ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.58
TNK2 Q07912 12/20 0.44

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
SCHEMBL12100517 0.85 BTK (0.61) BTKTNK2
SCHEMBL169823 0.85 BTK (0.61) BTKTNK2
SCHEMBL122913 0.84 BTK (0.60) BTKTNK2
SCHEMBL122924 0.84 BTK (0.61) BTKTNK2
SCHEMBL167469 0.81 BTK (0.64) BTKTNK2
SCHEMBL176919 0.80 BTK (0.66) BTKTNK2
SCHEMBL123306 0.79 BTK (0.64) BTKTNK2
SCHEMBL124952 0.78 BTK (0.66) BTKTNK2
SCHEMBL124951 0.78 BTK (0.66) BTKTNK2
SCHEMBL169601 0.78 BTK (0.53) BTKTNK2

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-2424368-A1 PYRROLOTRIAZINE COMPOUNDS Locus Pharmaceuticals, Inc. (US) 2012-03-07 EP disclosed
WO-2010126960-A1 PYRROLOTRIAZINE COMPOUNDS LOCUS PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed