SCHEMBL169984

SCHEMBL169984

COc1cc(-c2c(C3CCS(O)(O)CC3)c(C3CCCC3)n3ncnc(N)c23)ccc1Oc1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.50
TNK2 Q07912 15/20 0.48
PIK3CD O00329 3/20 0.35

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
SCHEMBL169985 0.93 BTK (0.50) BTKTNK2PIK3CD
SCHEMBL168773 0.91 TNK2 (0.50) BTKTNK2PIK3CD
SCHEMBL124219 0.90 BTK (0.49) BTKTNK2PIK3CD
SCHEMBL12100517 0.86 BTK (0.61) BTKTNK2
SCHEMBL169601 0.82 BTK (0.53) BTKTNK2PIK3CD
SCHEMBL122300 0.81 BTK (0.61) BTKTNK2
SCHEMBL167539 0.80 BTK (0.61) BTKTNK2
SCHEMBL169914 0.80 TNK2 (0.46) BTKTNK2PIK3CD
SCHEMBL170027 0.79 BTK (0.61) BTKTNK2PIK3CD
SCHEMBL122924 0.79 BTK (0.61) BTKTNK2PIK3CD

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