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SCHEMBL13301799

SCHEMBL13301799

Cc1ccc(NC(=O)c2ccc(Cl)c(CF)c2)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 6/20 0.55
▸ MAPK14 Q16539 8/20 0.52
▸ INSR P06213 6/20 0.48
▸ LCK P06239 6/20 0.48
▸ LYN P07948 6/20 0.48
▸ SRC P12931 6/20 0.48
▸ KDR P35968 6/20 0.48
▸ HCK P08631 5/20 0.48
▸ RAF1 P04049 3/20 0.47
▸ ARAF P10398 3/20 0.47

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
SCHEMBL3236575 0.91 BRAF (0.58) BRAFMAPK14INSRLCKLYN
SCHEMBL3229925 0.90 BRAF (0.66) BRAFMAPK14INSRLCKLYN
SCHEMBL1841461 0.89 BRAF (0.69) BRAFINSRLCKLYNSRC
SCHEMBL13267796 0.89 BRAF (0.55) BRAFMAPK14INSRLCKLYN
SCHEMBL3236564 0.89 BRAF (0.62) BRAFMAPK14INSRLCKLYN
SCHEMBL3236589 0.88 BRAF (0.55) BRAFMAPK14INSRLCKLYN
SCHEMBL13301984 0.87 LCK (0.55) BRAFMAPK14INSRLCKLYN
SCHEMBL13267927 0.86 BRAF (0.57) BRAFMAPK14INSRLCKLYN
SCHEMBL3234843 0.85 LCK (0.66) BRAFMAPK14INSRLCKLYN
SCHEMBL13897988 0.85 BRAF (0.55) BRAFMAPK14KDRRAF1ARAF

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
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed