SCHEMBL18049037

SCHEMBL18049037

O=C(Nc1ccnc(C(F)(F)F)c1)c1nccnc1NCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.45
▸ KDR P35968 7/20 0.45
▸ SMARCA2 P51531 1/20 0.45
▸ SMARCA4 P51532 1/20 0.45
▸ WNT1 P04628 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ PDPK1 O15530 2/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ VNN1 O95497 1/20 0.41
▸ FLT1 P17948 3/20 0.41
▸ ANO1 Q5XXA6 1/20 0.41
▸ CLK2 P49760 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL18049009 0.86 PDPK1 (0.47) KDRPDPK1VNN1FLT1PTK2
SCHEMBL18049008 0.85 KDR (0.61) KDRPDPK1KDM4EMEN1HTT
Hydrochloric Acid SCHEMBL18049005 0.85 PDPK1 (0.46) KDRPDPK1VNN1FLT1PTK2
SCHEMBL18049787 0.84 GRM4 (0.52) KDRPDPK1VNN1FLT1PTK2
SCHEMBL18049823 0.84 KDR (0.48) KDRPDPK1VNN1FLT1PTK2
SCHEMBL18048995 0.84 KDR (0.64) KDRFLT1KDM4EMEN1HTT
SCHEMBL18048985 0.84 KDR (0.60) KDRPDPK1VNN1FLT1PTK2
SCHEMBL18048975 0.82 NAMPT (0.47) KDRPDPK1
SCHEMBL18049013 0.82 KDR (0.48) KDRPDPK1VNN1FLT1PTK2
SCHEMBL18048964 0.81 KDR (0.51) KDRPDPK1VNN1FLT1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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