SCHEMBL123466

SCHEMBL123466

COc1cc(-c2c(Cl)c(C3CCN(C=CC=O)C3)n3ncnc(N)c23)ccc1Oc1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.70
▸ TNK2 Q07912 15/20 0.46
▸ PIK3CD O00329 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ MERTK Q12866 1/20 0.34

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
SCHEMBL122566 0.84 BTK (0.94) BTKTNK2
SCHEMBL16332956 0.84 BTK (0.75) BTKTNK2PIK3CD
SCHEMBL123014 0.84 BTK (0.68) BTKTNK2PIK3CDAXLMERTK
SCHEMBL122280 0.82 BTK (1.00) BTKTNK2
SCHEMBL122320 0.82 BTK (0.54) BTKTNK2PIK3CD
SCHEMBL175374 0.80 BTK (0.69) BTKTNK2
SCHEMBL124553 0.75 BTK (0.69) BTKTNK2PIK3CD
SCHEMBL120432 0.75 BTK (0.66) BTKTNK2
SCHEMBL120433 0.75 BTK (0.66) BTKTNK2
SCHEMBL170027 0.74 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
Send feedback