SCHEMBL18070995

SCHEMBL18070995

CN(C)Cc1cc(NC(=O)c2cccnc2NCc2ccc(F)cc2)ccc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 16/20 0.62
▸ PDPK1 O15530 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ FLT1 P17948 2/20 0.49
▸ CIT O14578 1/20 0.47
▸ MAP3K7 O43318 1/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ CSF1R P07333 1/20 0.47

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
SCHEMBL18049817 0.90 KDR (0.62) KDRPDPK1KDM4EGAAMEN1
SCHEMBL18071008 0.87 KDR (0.51) KDRFLT1
Hydrochloric Acid SCHEMBL18049782 0.86 KDR (0.50) KDRFLT1
SCHEMBL18071007 0.85 KDR (0.55) KDRPDPK1KDM4EGAAMEN1
SCHEMBL18071021 0.84 KDR (0.61) KDRPDPK1KDM4EGAAMEN1
SCHEMBL3107865 0.83 KDR (0.83) KDRFLT1CITMAP3K7RIPK2
SCHEMBL18049791 0.83 KDR (0.61) KDRPDPK1KDM4EGAAMEN1
SCHEMBL18049814 0.83 KDR (0.63) KDRPDPK1KDM4EGAAMEN1
SCHEMBL18070970 0.81 KDR (0.77) KDRPDPK1MEN1MAPTKMT2A
SCHEMBL6103207 0.81 PDPK1 (0.52) KDRPDPK1KDM4EGAAMEN1

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 2 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 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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