SCHEMBL18048997

SCHEMBL18048997

O=C(Nc1ccc(OC(F)(F)F)nc1)c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.65
▸ PDPK1 O15530 1/20 0.62
▸ KDM4E B2RXH2 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 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
SCHEMBL18049886 0.88 KDR (0.83) KDRPDPK1KDM4EGAAMAPT
SCHEMBL18049019 0.87 KDR (0.62) KDRPDPK1KDM4EGAAMAPT
SCHEMBL18048991 0.86 KDR (0.47) KDRPDPK1MAPTALDH1A1
SCHEMBL18049049 0.85 PDPK1 (0.65) KDRPDPK1KDM4EGAAMAPT
SCHEMBL18048949 0.83 KDR (0.84) KDRPDPK1KDM4EGAAMAPT
SCHEMBL15528705 0.81 MEN1 (0.79) KDRPDPK1KDM4EGAAMAPT
SCHEMBL18049007 0.80 PDPK1 (0.64) KDRPDPK1KDM4EGAAMAPT
SCHEMBL31362715 0.80 KDR (0.79) KDRPDPK1KDM4EGAAMAPT
SCHEMBL6104460 0.80 KDR (0.69) KDRPDPK1KDM4EGAAMAPT
SCHEMBL18049839 0.79 PDPK1 (0.63) KDRPDPK1KDM4EGAAMAPT

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-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
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