SCHEMBL18048964

SCHEMBL18048964

O=C(Nc1cncc(C(F)(F)F)c1)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.51
▸ PDPK1 O15530 2/20 0.47
▸ FLT1 P17948 7/20 0.47
▸ AR P10275 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ SRPK3 Q9UPE1 1/20 0.45
▸ VNN1 O95497 2/20 0.44
▸ ABL1 P00519 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SCN10A Q9Y5Y9 1/20 0.41

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
SCHEMBL18048995 0.87 KDR (0.64) KDRFLT1LRRK2ABL1EGFR
SCHEMBL18048985 0.86 KDR (0.60) KDRPDPK1FLT1VNN1
SCHEMBL18049009 0.82 PDPK1 (0.47) KDRPDPK1FLT1VNN1
SCHEMBL18049037 0.81 PRKCI (0.45) KDRPDPK1FLT1VNN1MEN1
Hydrochloric Acid SCHEMBL18049005 0.81 PDPK1 (0.46) KDRPDPK1FLT1VNN1
SCHEMBL18049787 0.80 GRM4 (0.52) KDRPDPK1FLT1VNN1
SCHEMBL18049823 0.80 KDR (0.48) KDRPDPK1FLT1VNN1
SCHEMBL18048975 0.78 NAMPT (0.47) KDRPDPK1
SCHEMBL18049013 0.78 KDR (0.48) KDRPDPK1FLT1VNN1
SCHEMBL18048991 0.78 KDR (0.47) KDRPDPK1FLT1

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-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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