SCHEMBL13728612

SCHEMBL13728612

NC(=O)c1ccnc(Cc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.54
▸ AURKA O14965 3/20 0.51
▸ RPS6KB1 P23443 2/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ GPR52 Q9Y2T5 11/20 0.50
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ EPHX1 P07099 1/20 0.45

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
SCHEMBL13729921 0.84 KMT2A (0.48) NR3C2AURKARPS6KB1AURKBMAOB
SCHEMBL13728854 0.81 NR3C2 (0.51) NR3C2AURKARPS6KB1HTR2CHTR2B
SCHEMBL13728281 0.78 PRKCI (0.48) —
SCHEMBL5252905 0.78 NR3C2 (0.54) NR3C2AURKARPS6KB1GPR52
SCHEMBL13729600 0.77 P2RX3 (0.46) —
SCHEMBL13729128 0.76 CHEK2 (0.45) EPHX1
SCHEMBL1568281 0.76 GPR52 (0.57) NR3C2AURKARPS6KB1AURKBGPR52
SCHEMBL13728786 0.76 EPHX2 (0.47) —
SCHEMBL13728192 0.75 KMO (0.52) AURKA
SCHEMBL13728047 0.75 GRM2 (0.47) RPS6KB1

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-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 — — WO disclosed
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