SCHEMBL9026902

SCHEMBL9026902

c1ccc(-c2nccn2-c2nc(-n3ccnc3-c3ccccc3)nc(-n3ccnc3-c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.53
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
FLT1 P17948 2/20 0.47
FLT4 P35916 2/20 0.47
PLK1 P53350 2/20 0.45
PLK2 Q9NYY3 2/20 0.45
ESR1 P03372 1/20 0.44

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
SCHEMBL15746078 0.91 KDR (0.49) KDRMAPK9MAPK10FLT1FLT4
SCHEMBL28566945 0.88 KDR (0.49) KDRMAPK9MAPK10FLT1FLT4
SCHEMBL15746081 0.83 L3MBTL1 (0.47) KDRMAPK9MAPK10FLT1FLT4
SCHEMBL528245 0.82 MAPK9 (0.54) KDRMAPK9MAPK10FLT1FLT4
Benzene SCHEMBL27839441 0.82 MAPK9 (0.54) KDRMAPK9MAPK10FLT1FLT4
SCHEMBL6624109 0.80 ALDH1A1 (0.44) PLK1PLK2
SCHEMBL15746026 0.80 KDR (0.41) KDRMAPK9MAPK10FLT1FLT4
Hydrochloric Acid SCHEMBL27683877 0.80 MAPK9 (0.53) KDRMAPK9MAPK10FLT1FLT4
SCHEMBL29526693 0.79 MAPK9 (0.44) KDRMAPK9MAPK10FLT1FLT4
SCHEMBL3820141 0.78 KDR (0.48) KDRMAPK9MAPK10FLT1FLT4

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
EP-0576393-B1 Curable compositions based on epoxy resins or mixtures of epoxy resins and polyisocyanates containing a trisimidazolyltriazone CIBA GEIGY AG (CH) 1996-04-10 EP disclosed
US-5391681-A Hardeners or promoters having low temperature reactivity and storage stability CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed
EP-0576393-A1 Curable compositions based on epoxy resins or mixtures of epoxy resins and polyisocyanates containing a trisimidazolyltriazone CIBA-GEIGY AG (CH) 1993-12-29 EP disclosed