SCHEMBL379210

SCHEMBL379210

CN1CCC(COc2cccc(Nc3cc(N(C(N)=O)c4c(Cl)cc(Cl)cc4Cl)ncn3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.44
LCK P06239 4/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
CYP3A4 P08684 2/20 0.42
FGFR3 P22607 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
AURKA O14965 1/20 0.41
CDK1 P06493 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
SCN9A Q15858 3/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 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
SCHEMBL582912 0.81 EGFR (0.56) KDRKDM1ARCOR1FGFR3AURKA
SCHEMBL374617 0.78 EGFR (0.63) KDRLCKKDM1ARCOR1FGFR3
SCHEMBL374856 0.75 EGFR (0.57) KDRLCKKDM1ARCOR1FGFR3
SCHEMBL378065 0.73 KDR (0.53) KDRFGFR3AURKACDK1PDGFRB
SCHEMBL15127722 0.71 FGFR3 (0.49) KDRFGFR3AURKACDK1PDGFRB
SCHEMBL374219 0.71 KDR (0.62) KDRLCKFGFR3AURKACDK1
SCHEMBL374119 0.69 KDR (0.56) KDRLCKFGFR3AURKACDK1
SCHEMBL27681379 0.68 TUBB4A (0.53) AURKASCN9ATUBB4ATUBBTUBA3C
SCHEMBL374985 0.65 FGFR3 (0.73) KDRLCKCYP3A4FGFR3CYP2C19
SCHEMBL3253732 0.65 KDM1A (0.58) KDRKDM1ARCOR1AURKACDK1

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-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP disclosed