SCHEMBL4789349

SCHEMBL4789349

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2C)cc1NC(=O)c1cnc2[nH]ccc2c1NCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.52
MAPK14 Q16539 5/20 0.52
KDR P35968 4/20 0.51
PTGES O14684 2/20 0.49
BRAF P15056 4/20 0.48
JAK3 P52333 2/20 0.47
CDK8 P49336 1/20 0.47
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
EGFR P00533 1/20 0.44
DDR1 Q08345 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4789346 0.93 LCK (0.49) LCKMAPK14KDRPTGESBRAF
SCHEMBL4789239 0.89 LCK (0.68) LCKMAPK14KDRBRAFJAK3
SCHEMBL4789238 0.87 LCK (0.58) LCKMAPK14KDRJAK3
SCHEMBL4788874 0.84 KMT2A (0.43) LCKMAPK14KDRPTGESBRAF
SCHEMBL4788647 0.83 LCK (0.46) LCKMAPK14KDRBRAFKMT2A
SCHEMBL4789178 0.82 LCK (0.58) LCKMAPK14KDRBRAFDDR1
SCHEMBL4789582 0.82 LCK (0.57) LCKMAPK14KDRBRAFDDR1
SCHEMBL4789248 0.82 LCK (0.57) LCKMAPK14KDRBRAFEGFR
SCHEMBL4789176 0.81 LCK (0.50) LCKMAPK14KDRJAK3DDR1
SCHEMBL4789243 0.80 LCK (0.49) LCKMAPK14KDRBRAFJAK3

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