SCHEMBL18048985

SCHEMBL18048985

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.60
▸ FLT1 P17948 5/20 0.55
▸ MAPT P10636 1/20 0.53
▸ VNN1 O95497 1/20 0.51
▸ PDPK1 O15530 2/20 0.48
▸ CTNNB1 P35222 3/20 0.48
▸ TCF7L2 Q9NQB0 3/20 0.48
▸ ASPH Q12797 1/20 0.48
▸ KDM8 Q8N371 1/20 0.48
▸ NAMPT P43490 2/20 0.47
▸ PTK2 Q05397 1/20 0.46

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
SCHEMBL18049825 0.90 KDR (0.64) KDRFLT1MAPTCTNNB1TCF7L2
SCHEMBL18048995 0.87 KDR (0.64) KDRFLT1MAPT
SCHEMBL18049009 0.87 PDPK1 (0.47) KDRFLT1MAPTVNN1PDPK1
SCHEMBL18048964 0.86 KDR (0.51) KDRFLT1VNN1PDPK1
SCHEMBL18048981 0.86 KDR (0.56) KDRFLT1MAPTVNN1PDPK1
SCHEMBL18048972 0.86 KDR (0.61) KDRFLT1MAPTPDPK1CTNNB1
Hydrochloric Acid SCHEMBL18049005 0.86 PDPK1 (0.46) KDRFLT1MAPTVNN1PDPK1
SCHEMBL18048998 0.85 ALDH1A1 (0.57) PDPK1CTNNB1TCF7L2
SCHEMBL18049787 0.85 GRM4 (0.52) KDRFLT1VNN1PDPK1PTK2
SCHEMBL18049823 0.85 KDR (0.48) KDRFLT1VNN1PDPK1PTK2

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-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
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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