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SCHEMBL9960414

SCHEMBL9960414

CN(C)CC1CCN(C(=O)Nc2cc(Oc3ccc(N)cc3F)ncn2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.45
▸ BRAF P15056 4/20 0.41
▸ RAF1 P04049 5/20 0.40
▸ MAPK3 P27361 3/20 0.40
▸ GPR119 Q8TDV5 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ MET P08581 2/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ TNNI3K Q59H18 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
SCHEMBL4330536 1.00 KDR (0.45) KDRBRAFRAF1MAPK3GPR119
SCHEMBL4330547 1.00 KDR (0.45) KDRBRAFRAF1MAPK3GPR119
SCHEMBL13861379 0.96 KDR (0.47) KDRBRAFRAF1MAPK3GPR119
SCHEMBL13861378 0.96 KDR (0.47) KDRBRAFRAF1MAPK3GPR119
SCHEMBL4335045 0.95 KDR (0.48) KDRBRAFRAF1MAPK3GPR119
SCHEMBL4330171 0.88 KDR (0.45) KDRBRAFRAF1MAPK3MET
SCHEMBL4325886 0.88 KDR (0.45) KDRBRAFRAF1MAPK3MET
SCHEMBL4323241 0.87 KDR (0.43) KDRBRAFRAF1MAPK3GPR119
SCHEMBL4323242 0.87 KDR (0.43) KDRBRAFRAF1MAPK3GPR119
SCHEMBL13861282 0.86 KDR (0.47) KDRBRAFRAF1MAPK3MAPK14

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 disclosed