SCHEMBL16010695

SCHEMBL16010695

CC(=O)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)nc(O)c2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 3/20 0.50
▸ BRD4 O60885 3/20 0.50
▸ CREBBP Q92793 3/20 0.50
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 1/20 0.42
▸ MTOR P42345 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ PRLHR P49683 5/20 0.40

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
SCHEMBL3118565 0.75 MTHFD2 (0.50) PDE10A
SCHEMBL18711328 0.74 DPP4 (0.58) KCNK3BRD4CREBBPMAPT
SCHEMBL3119582 0.72 PDE10A (0.54) MAPTMTORPDE10A
SCHEMBL2969795 0.71 MAPK1 (0.77) KCNK3BRD4CREBBPMAPK1EP300
Hydrochloric Acid SCHEMBL9659841 0.71 BRD4 (0.53) KCNK3BRD4CREBBPPRLHR
SCHEMBL15315468 0.71 TNKS2 (0.56) ADORA3
SCHEMBL29411302 0.71 TNKS2 (0.56) ADORA3
SCHEMBL27013363 0.68 MTOR (0.49) MAPTMTORPDE10A
SCHEMBL27042576 0.68 DPP4 (0.44) MAPK1
SCHEMBL30613768 0.68 MAPK1 (0.45) MAPK1

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
US-20140255426-A1 WNT PATHWAY INHIBITORS FOR TREATING VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-09-11 — — US disclosed
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