SCHEMBL27844997

SCHEMBL27844997

Cc1nc(Nc2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2C)nc(N2CCN(C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.57
▸ MAPK14 Q16539 1/20 0.56
▸ KDR P35968 1/20 0.48
▸ BRD4 O60885 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ CA9 Q16790 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL27862197 0.92 BRAF (0.55) BRAFMAPK14KDRTRPV1
SCHEMBL27844947 0.91 BRAF (0.53) BRAFMAPK14KDRTRPV1
SCHEMBL27844943 0.91 BRAF (0.56) BRAFMAPK14KDRBRD4
SCHEMBL14146747 0.91 BRAF (0.62) BRAFMAPK14KDRCA9
SCHEMBL14147199 0.90 BRAF (0.55) BRAFMAPK14KDRTRPV1
SCHEMBL28796317 0.89 BRAF (0.53) BRAFMAPK14KDRCA9TRPV1
SCHEMBL27862284 0.88 BRAF (0.53) BRAFMAPK14TRPV1
SCHEMBL27845008 0.88 BRAF (0.51) BRAFMAPK14KDRTRPV1
SCHEMBL27844962 0.88 BRAF (0.53) BRAFMAPK14KDRCA9TRPV1
SCHEMBL27844954 0.87 BRAF (0.54) BRAFMAPK14KDRCA9

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