SCHEMBL18048995

SCHEMBL18048995

O=C(Nc1cccc(C(F)(F)F)c1)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.64
▸ FLT1 P17948 5/20 0.57
▸ ABL1 P00519 1/20 0.54
▸ EGFR P00533 1/20 0.54
▸ CSF1R P07333 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ KIT P10721 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ RXFP1 Q9HBX9 3/20 0.53
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ LRRK2 Q5S007 1/20 0.48

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
SCHEMBL18048985 0.87 KDR (0.60) KDRFLT1MAPT
SCHEMBL18048964 0.87 KDR (0.51) KDRFLT1ABL1EGFRCSF1R
SCHEMBL18049037 0.84 PRKCI (0.45) KDRFLT1MEN1HTTKMT2A
SCHEMBL18049823 0.83 KDR (0.48) KDRFLT1
SCHEMBL18049787 0.83 GRM4 (0.52) KDRFLT1
SCHEMBL18048975 0.81 NAMPT (0.47) KDRALDH1A1MAPT
SCHEMBL18049009 0.81 PDPK1 (0.47) KDRFLT1ALDH1A1HPGDMAPT
SCHEMBL18049013 0.81 KDR (0.48) KDRFLT1
Hydrochloric Acid SCHEMBL18049005 0.80 PDPK1 (0.46) KDRFLT1ALDH1A1HPGDMAPT
SCHEMBL18048984 0.79 KDR (0.45) 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 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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