SCHEMBL5779568

SCHEMBL5779568

CCN(CC)Cc1cccc(C(=C=O)CN(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
MEP1B Q16820 8/20 0.42
MEP1A Q16819 1/20 0.42
AOC3 Q16853 1/20 0.41
PPARG P37231 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39
PTPN1 P18031 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
LTA4H P09960 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL5776042 0.90 NOS1 (0.42) MEP1BMEP1APPARGCYP2C19HSD17B1
SCHEMBL5200753 0.79 PARP1 (0.43) CYP1A2CYP2C19
SCHEMBL5779117 0.78 MEP1B (0.41) BCHEMEP1BPPARGHDAC8HDAC6
SCHEMBL5489563 0.76 HPGD (0.45)
SCHEMBL5777797 0.76 PBRM1 (0.42)
SCHEMBL289811 0.74 EGFR (0.50)
SCHEMBL5915679 0.73 POLB (0.57) BCHEMEP1BMEP1AAOC3PPARG
SCHEMBL4407864 0.73 MEP1B (0.65) BCHEMEP1BMEP1APTPN1LTA4H
SCHEMBL5771539 0.72 CES2 (0.50)
SCHEMBL26686942 0.72 TSHR (0.52) BCHEAOC3CYP1A2CYP2D6CYP2C9

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-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed