SCHEMBL18048984

SCHEMBL18048984

N#Cc1cc(NC(=O)c2nccnc2NCc2ccc(F)cc2)ccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.45
▸ FLT1 P17948 9/20 0.45
▸ PTK2 Q05397 1/20 0.42
▸ AR P10275 2/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ GRM4 Q14833 1/20 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
SCHEMBL18049770 0.93 AR (0.51) KDRFLT1AR
SCHEMBL18049823 0.87 KDR (0.48) KDRFLT1PTK2PDPK1GRM4
SCHEMBL18049791 0.87 KDR (0.61) KDRPDPK1
SCHEMBL18049787 0.85 GRM4 (0.52) KDRFLT1PTK2PDPK1GRM4
SCHEMBL18049013 0.85 KDR (0.48) KDRFLT1PTK2PDPK1CTNNB1
SCHEMBL18071008 0.82 KDR (0.51) KDRFLT1PTK2CTNNB1TCF7L2
SCHEMBL18048962 0.82 VNN1 (0.52) PDPK1CTNNB1TCF7L2
Hydrochloric Acid SCHEMBL18049782 0.81 KDR (0.50) KDRFLT1PTK2CTNNB1TCF7L2
SCHEMBL18048985 0.81 KDR (0.60) KDRFLT1PTK2PDPK1CTNNB1
SCHEMBL18048945 0.80 KCNQ3 (0.49) ARPDPK1CTNNB1TCF7L2

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 5 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-2016144797-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
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
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