Dimethylamine

Dimethylamine

SCHEMBL5823364

CN(C)Cc1cncc(-c2cnc3[nH]nc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)c3c2)c1.CNC

nearest known ligand 0.59

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.59
KDR P35968 5/20 0.55
CDK1 P06493 3/20 0.55
ERBB2 P04626 2/20 0.55
WNT1 P04628 4/20 0.49
MAP4K1 Q92918 1/20 0.47
CLK2 P49760 2/20 0.46
CLK3 P49761 2/20 0.46
DYRK1A Q13627 2/20 0.46
TGFBR1 P36897 1/20 0.45
FGFR1 P11362 4/20 0.45
FLT1 P17948 1/20 0.45
PDGFRA P16234 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL4042919 0.98 RET (0.59) RETKDRCDK1ERBB2WNT1
SCHEMBL4038126 0.90 RET (0.69) RETKDRCDK1ERBB2WNT1
SCHEMBL4033966 0.87 RET (0.70) RETKDRCDK1ERBB2WNT1
SCHEMBL4038916 0.87 RET (0.68) RETKDRCDK1ERBB2WNT1
SCHEMBL4036833 0.86 RET (0.70) RETKDRCDK1ERBB2WNT1
SCHEMBL4039916 0.85 RET (0.54) RETKDRCDK1ERBB2WNT1
SCHEMBL4039901 0.85 RET (0.70) RETKDRCDK1ERBB2WNT1
SCHEMBL4042953 0.85 RET (0.62) RETKDRCDK1ERBB2WNT1
Isopropylamine SCHEMBL5823529 0.84 RET (0.68) RETKDRCDK1ERBB2WNT1
SCHEMBL4037196 0.84 RET (0.72) RETKDRCDK1ERBB2WNT1

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
WO-2006130673-A1 3-BENZOIMIDAZOLYL-PYRAZOLOPYRIDINES USEFUL IN TREATING KINASE DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO disclosed