SCHEMBL22925716

SCHEMBL22925716

Cc1ccc(-c2cnc(Nc3ncc(C#N)cn3)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.49
▸ FLT1 P17948 6/20 0.49
▸ FLT4 P35916 6/20 0.49
▸ ACHE P22303 1/20 0.44
▸ IMPDH2 P12268 6/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL24636894 0.83 TRPV1 (0.49) KDRFLT1FLT4IMPDH2TRPV1
SCHEMBL22925713 0.74 HDAC1 (0.44) KDRFLT1FLT4ACHEIMPDH2
SCHEMBL14134354 0.74 KDR (0.73) KDRFLT1FLT4IMPDH2ALOX5
SCHEMBL22925717 0.74 HDAC1 (0.44) KDRFLT1FLT4ACHEIMPDH2
SCHEMBL2925824 0.72 KDR (0.55) KDRFLT1FLT4IMPDH2TRPV1
SCHEMBL5502444 0.70 ALOX5 (0.56) KDRFLT1FLT4IMPDH2ALOX5
SCHEMBL2924685 0.70 FLT1 (0.49) KDRFLT1FLT4IMPDH2ALOX5
SCHEMBL2345680 0.70 KDR (0.51) KDRFLT1FLT4IMPDH2TRPV1
SCHEMBL2926789 0.69 KDR (0.71) KDRFLT1FLT4IMPDH2ALOX5
SCHEMBL4748476 0.69 ALDH1A1 (0.52) KDM4EALDH1A1GAANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 — — WO disclosed
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