SCHEMBL4789346

SCHEMBL4789346

Cc1ccc(Nc2cccc(C(F)(F)F)c2C)cc1NC(=O)c1cnc2[nH]ccc2c1NCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.49
MAPK14 Q16539 7/20 0.49
KDR P35968 6/20 0.49
JAK3 P52333 2/20 0.49
PTGES O14684 2/20 0.47
CDK8 P49336 1/20 0.45
BRAF P15056 4/20 0.44
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
EGFR P00533 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
SCHEMBL4789349 0.93 LCK (0.52) LCKMAPK14KDRJAK3PTGES
SCHEMBL4789238 0.89 LCK (0.58) LCKMAPK14KDRJAK3
SCHEMBL4789239 0.85 LCK (0.68) LCKMAPK14KDRJAK3BRAF
SCHEMBL4788871 0.84 LCK (0.42) LCKMAPK14KDRPTGESCDK8
SCHEMBL4788641 0.83 LCK (0.49) LCKMAPK14KDRJAK3CDK8
SCHEMBL4789176 0.83 LCK (0.50) LCKMAPK14KDRJAK3POLB
SCHEMBL4789581 0.82 LCK (0.49) LCKMAPK14KDRJAK3POLB
SCHEMBL4789243 0.82 LCK (0.49) LCKMAPK14KDRJAK3BRAF
SCHEMBL4788536 0.80 LCK (0.46) LCKMAPK14KDRPTGESBRAF
SCHEMBL4789178 0.79 LCK (0.58) LCKMAPK14KDRBRAF

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