SCHEMBL18048975

SCHEMBL18048975

O=C(Nc1ccc(F)c(F)c1)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.47
▸ PDPK1 O15530 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ CXCR1 P25024 2/20 0.44
▸ CXCR2 P25025 2/20 0.44
▸ P4HTM Q9NXG6 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CTNNB1 P35222 4/20 0.43
▸ TCF7L2 Q9NQB0 4/20 0.43
▸ KDR P35968 4/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42

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
SCHEMBL18049823 0.88 KDR (0.48) PDPK1KDR
SCHEMBL18049787 0.88 GRM4 (0.52) PDPK1KDR
SCHEMBL18048981 0.87 KDR (0.56) PDPK1MAPTCXCR1CXCR2P4HTM
SCHEMBL18048998 0.84 ALDH1A1 (0.57) PDPK1CXCR1CXCR2ALDH1A1CTNNB1
SCHEMBL18048985 0.83 KDR (0.60) NAMPTPDPK1MAPTCTNNB1TCF7L2
SCHEMBL18049037 0.82 PRKCI (0.45) PDPK1KDR
SCHEMBL18048962 0.82 VNN1 (0.52) NAMPTPDPK1MAPTCXCR1CXCR2
SCHEMBL18048995 0.81 KDR (0.64) MAPTALDH1A1KDR
SCHEMBL18049013 0.81 KDR (0.48) PDPK1CTNNB1TCF7L2KDR
SCHEMBL18049009 0.81 PDPK1 (0.47) PDPK1MAPTCXCR1CXCR2P4HTM

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
Send feedback