SCHEMBL4789243

SCHEMBL4789243

Cc1ccc(Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2[nH]ccc2c1NCCN1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.49
KDR P35968 9/20 0.49
MAPK14 Q16539 5/20 0.47
LYN P07948 6/20 0.46
SRC P12931 6/20 0.46
INSR P06213 5/20 0.46
HCK P08631 5/20 0.46
EGFR P00533 1/20 0.45
BRAF P15056 1/20 0.45
TEK Q02763 2/20 0.44
JAK3 P52333 1/20 0.44
RAF1 P04049 1/20 0.43
BMX P51813 2/20 0.43
CSF1R P07333 3/20 0.42
KIT P10721 2/20 0.42
ABL1 P00519 1/20 0.41
FYN P06241 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL4789176 0.95 LCK (0.50) LCKKDRMAPK14LYNSRC
SCHEMBL4789581 0.94 LCK (0.49) LCKKDRMAPK14LYNSRC
SCHEMBL4789238 0.93 LCK (0.58) LCKKDRMAPK14SRCJAK3
SCHEMBL4789248 0.92 LCK (0.57) LCKKDRMAPK14LYNSRC
SCHEMBL4789728 0.89 LCK (0.47) LCKKDRMAPK14LYNSRC
SCHEMBL4787603 0.88 RAF1 (0.47) LCKKDRMAPK14SRCBRAF
SCHEMBL4788649 0.87 BMX (0.47) LCKKDRMAPK14SRCBRAF
SCHEMBL4789178 0.87 LCK (0.58) LCKKDRMAPK14SRCBRAF
SCHEMBL4790218 0.87 BMX (0.49) LCKKDRMAPK14SRCBRAF
SCHEMBL4789266 0.86 SYK (0.48) LCKKDRMAPK14LYNSRC

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed