SCHEMBL14728428

SCHEMBL14728428

C=C/C=C(\C=C/N)c1cc(-c2cn[nH]c2)n2nc(C)c(Cc3ccccc3C)c2n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL14728568 0.83 USP2 (0.33)
SCHEMBL14723228 0.76 MAPT (0.38) ROCK2ROCK1
SCHEMBL14728405 0.72 PIK3CD (0.35)
SCHEMBL14728249 0.72 CCR2 (0.32)
SCHEMBL14728328 0.70 PIK3CB (0.55)
SCHEMBL14728443 0.70 USP2 (0.30)
SCHEMBL14728235 0.66 ADCY10 (0.31)
SCHEMBL14728548 0.65 PIK3CB (0.32)
SCHEMBL14720445 0.60 KDM4E (0.42) ROCK2ROCK1
SCHEMBL14728354 0.59 PIK3CB (0.45)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed