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SCHEMBL281915

SCHEMBL281915

Nc1ccc2c(Oc3ccc(NC(=O)NN(C(=O)Nc4ccc(Oc5cncc6cc(N)ccc56)cc4)c4ccc(Cl)c(C(F)(F)F)c4)cc3)cncc2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 4/20 0.48
▸ KDR P35968 5/20 0.46
▸ RAF1 P04049 6/20 0.44
▸ BRAF P15056 5/20 0.43
▸ KIT P10721 2/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ TRPV1 Q8NER1 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
SCHEMBL282579 0.87 CDK8 (0.61) CDK8KDRRAF1BRAFKIT
SCHEMBL282624 0.78 CDK8 (0.61) CDK8KDRRAF1BRAFKIT
SCHEMBL281698 0.77 RAF1 (0.50) CDK8KDRRAF1BRAFKIT
SCHEMBL282705 0.75 KDR (0.61) KDRRAF1BRAFKITPDGFRB
SCHEMBL281926 0.74 CSF1R (0.58) KDRRAF1BRAFKITPDGFRB
SCHEMBL10073789 0.74 CSF1R (0.57) CDK8KDRBRAFPDGFRAFLT3
SCHEMBL717713 0.73 ICAM1 (0.51) CDK8
SCHEMBL282580 0.67 KDR (0.66) CDK8KDRRAF1BRAFKIT
SCHEMBL282422 0.67 ICAM1 (0.50) CDK8
SCHEMBL21357120 0.67 CDK8 (0.70) CDK8KDRRAF1BRAFKIT

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
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 — — EP claimed