SCHEMBL27862187

SCHEMBL27862187

Cc1nc(Cc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)nc(N2CCN(C)CC2C)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.43
▸ BRAF P15056 8/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CCNC P24863 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ TRPV1 Q8NER1 4/20 0.41
▸ MAPK14 Q16539 2/20 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
SCHEMBL27844962 0.84 BRAF (0.53) KDRBRAFCA9CCNCCDK8
SCHEMBL27845065 0.84 BRAF (0.45) KDRBRAFEPHX2CA9CCNC
SCHEMBL14146761 0.83 BRAF (0.58) KDRBRAFEPHX2CA9MAPK14
SCHEMBL27862281 0.82 BRAF (0.45) KDRBRAFEPHX2TRPV1MAPK14
SCHEMBL28796270 0.82 BRAF (0.46) KDRBRAFEPHX2CA9CCNC
SCHEMBL27845059 0.81 BRAF (0.44) KDRBRAFEPHX2CA9CCNC
SCHEMBL27844960 0.81 CCR2 (0.46) KDRBRAFEPHX2CA9CCNC
SCHEMBL27862198 0.80 BRAF (0.43) KDRBRAFEPHX2CCNCCDK8
SCHEMBL27844969 0.79 BRAF (0.45) KDRBRAFEPHX2CCNCCDK8
SCHEMBL27862533 0.79 FAAH (0.46) KDRBRAFTRPV1MAPK14

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
CN-102250065-A Substituted triazine phenyl urea derivatives and application thereof ZHEJIANG HISUN PHARM CO LTD 2011-11-23 — — CN disclosed
Send feedback