SCHEMBL122320

SCHEMBL122320

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.54
▸ TNK2 Q07912 10/20 0.43
▸ PIK3CD O00329 5/20 0.37
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32

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
SCHEMBL122319 0.84 BTK (0.69) BTKTNK2PIK3CD
SCHEMBL123466 0.82 BTK (0.70) BTKTNK2PIK3CD
SCHEMBL122890 0.75 BTK (0.60) BTKTNK2RIPK1
SCHEMBL123014 0.72 BTK (0.68) BTKTNK2PIK3CDPIK3CAPIK3CG
SCHEMBL122380 0.72 BTK (0.53) BTKTNK2FYNRIPK1
SCHEMBL122566 0.71 BTK (0.94) BTKTNK2
SCHEMBL16332956 0.70 BTK (0.75) BTKTNK2PIK3CD
SCHEMBL121239 0.70 BTK (0.69) BTKTNK2
SCHEMBL122280 0.70 BTK (1.00) BTKTNK2
SCHEMBL121733 0.70 BTK (0.54) 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
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