SCHEMBL9958529

SCHEMBL9958529

CN(C)CCCN1CCC(N(C)C(=O)Nc2cc(Oc3ccc(NC(=S)NC(=O)Cc4ccc(F)cc4)cc3F)ncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.45
▸ AXL P30530 1/20 0.45
▸ NTRK1 P04629 1/20 0.42
▸ KDR P35968 5/20 0.42
▸ RAF1 P04049 2/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ BRAF P15056 1/20 0.40

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
SCHEMBL4330528 1.00 MET (0.45) METAXLNTRK1KDRRAF1
SCHEMBL4344063 0.96 MET (0.46) METAXLNTRK1KDRRAF1
SCHEMBL4334640 0.92 MET (0.48) METAXLNTRK1KDRRAF1
SCHEMBL4328769 0.92 MET (0.49) METAXLNTRK1KDRRAF1
SCHEMBL4342724 0.91 MET (0.47) METKDRRAF1
SCHEMBL4335387 0.90 MET (0.48) METAXLNTRK1KDRRAF1
SCHEMBL4328688 0.90 MET (0.48) METAXLKDRBRAF
SCHEMBL14391999 0.89 MET (0.48) METAXLNTRK1KDRRAF1
SCHEMBL4324329 0.89 MET (0.48) METAXLNTRK1KDRRAF1
SCHEMBL4329642 0.89 MET (0.48) METAXLNTRK1KDRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719762-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (1) EISAI R&D MAN CO LTD (JP) 2012-06-27 — — EP claimed
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