SCHEMBL18049787

SCHEMBL18049787

O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.52
▸ VNN1 O95497 3/20 0.52
▸ KDR P35968 10/20 0.50
▸ FLT1 P17948 7/20 0.48
▸ PTK2 Q05397 1/20 0.46
▸ EPHB4 P54760 1/20 0.45
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ KCNE1 P15382 1/20 0.44
▸ KCNQ1 P51787 1/20 0.44
▸ PDPK1 O15530 1/20 0.43

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
SCHEMBL18049823 0.92 KDR (0.48) GRM4VNN1KDRFLT1PTK2
SCHEMBL18048975 0.88 NAMPT (0.47) KDRPDPK1
SCHEMBL18049770 0.87 AR (0.51) KDRFLT1
SCHEMBL18049013 0.87 KDR (0.48) VNN1KDRFLT1PTK2PDPK1
SCHEMBL18071008 0.86 KDR (0.51) KDRFLT1PTK2
Hydrochloric Acid SCHEMBL18049782 0.86 KDR (0.50) KDRFLT1PTK2
SCHEMBL18048984 0.85 KDR (0.45) GRM4KDRFLT1PTK2PDPK1
SCHEMBL18048985 0.85 KDR (0.60) VNN1KDRFLT1PTK2PDPK1
SCHEMBL18049037 0.84 PRKCI (0.45) VNN1KDRFLT1PTK2PDPK1
SCHEMBL18048995 0.83 KDR (0.64) KDRFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO claimed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 — — WO disclosed
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