SCHEMBL29620878

SCHEMBL29620878

O=C(O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)c(F)c3)o2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 4/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ FLT1 P17948 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ PRKAB2 O43741 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA2 P54646 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ RPS6KA1 Q15418 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ PRKAG3 Q9UGI9 1/20 0.41
▸ PRKAG2 Q9UGJ0 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 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
SCHEMBL22925871 1.00 VCP (0.46) VCPALOX5FLT1KDRPRKAB2
SCHEMBL29620863 0.91 FLT3 (0.46) VCPALOX5FLT1KDRPRKAB2
SCHEMBL28733808 0.91 FLT3 (0.46) VCPALOX5FLT1KDRPRKAB2
SCHEMBL29696334 0.89 ALOX5 (0.43) VCPALOX5FLT1KDRPRKAB2
SCHEMBL22925869 0.89 ALOX5 (0.43) VCPALOX5FLT1KDRPRKAB2
SCHEMBL22925943 0.88 VCP (0.50) VCPALOX5FLT1KDRPRKAB2
SCHEMBL29620955 0.88 VCP (0.50) VCPALOX5FLT1KDRPRKAB2
SCHEMBL22925963 0.85 ALOX5 (0.41) VCPALOX5FLT1KDRPRKAB2
SCHEMBL28733743 0.85 ALOX5 (0.41) VCPALOX5FLT1KDRPRKAB2
SCHEMBL29620998 0.85 ALOX5 (0.41) VCPALOX5FLT1KDRPRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 — — CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 — — EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 — — CN disclosed
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