SCHEMBL4867770

SCHEMBL4867770

Cc1ccc(N(C(=O)c2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)c2ccccc2)cc1NC(=O)N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.49
MAP4K2 Q12851 2/20 0.49
LYN P07948 3/20 0.42
HCK P08631 2/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
BRAF P15056 11/20 0.42
CSF1R P07333 3/20 0.42
RAF1 P04049 3/20 0.41
KIT P10721 1/20 0.39
NR2C2 P49116 1/20 0.39
BTK Q06187 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TEK Q02763 1/20 0.37
ABL1 P00519 1/20 0.37
ARAF P10398 1/20 0.36

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
SCHEMBL3387035 0.85 MAP3K7 (0.59) MAP3K7MAP4K2LYNHCKINSR
SCHEMBL3387007 0.78 MAP3K7 (0.51) MAP3K7MAP4K2LYNHCKINSR
SCHEMBL3387657 0.78 MAP3K7 (0.51) MAP3K7MAP4K2LYNHCKINSR
SCHEMBL3387002 0.78 LYN (0.55) MAP3K7MAP4K2LYNHCKINSR
SCHEMBL3390724 0.78 CSF1R (0.60) MAP3K7MAP4K2LYNBRAFCSF1R
SCHEMBL3384701 0.73 BRAF (0.70) MAP3K7MAP4K2BRAFCSF1RRAF1
SCHEMBL3388334 0.72 CSF1R (0.60) MAP3K7MAP4K2LYNHCKINSR
SCHEMBL3391195 0.72 BRAF (0.49) LCKKDRBRAFCSF1RRAF1
SCHEMBL3386984 0.71 CSF1R (0.58) LCKKDRBRAFCSF1RRAF1
SCHEMBL14572597 0.70 BRAF (0.55) MAP3K7MAP4K2KDRBRAFRAF1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891066-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-02-27 EP claimed
WO-2006124462-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-11-23 WO claimed