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SCHEMBL4718201

SCHEMBL4718201

CC(=O)N(c1ccc(-n2cnc3ccccc32)cc1)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CN(C)CCCN(C)c1ccc(NC(=O)Cc2ccc(-n3cnc4cccnc43)cc2Cl)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.41
▸ SRC P12931 4/20 0.41
▸ FGFR1 P11362 3/20 0.40
▸ EGFR P00533 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ RET P07949 9/20 0.39
▸ KIT P10721 2/20 0.37
▸ KDR P35968 1/20 0.37

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
SCHEMBL1415233 0.88 MKNK2 (0.45) ABL1SRCRETKITKDR
SCHEMBL1408559 0.84 KCNJ5 (0.41) BRAFRETKDR
SCHEMBL1408285 0.84 SRC (0.53) ABL1SRCFGFR1EGFRBRAF
SCHEMBL1408518 0.79 MKNK2 (0.52) ABL1SRCRETKITKDR
SCHEMBL2203870 0.78 ABL1 (0.44) ABL1SRCEGFRBRAFRET
SCHEMBL1408487 0.78 SRC (0.53) ABL1SRCFGFR1EGFRBRAF
SCHEMBL1408098 0.77 ABL1 (0.44) ABL1SRCEGFRBRAFRET
SCHEMBL1408637 0.77 ABL1 (0.54) ABL1SRCEGFRBRAFKIT
SCHEMBL1408439 0.77 ABL1 (0.55) ABL1SRCEGFRBRAFRET
SCHEMBL1408415 0.76 MAPT (0.43) RET

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-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 — — EP claimed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 — — WO claimed