SCHEMBL5777797

SCHEMBL5777797

CN(C)CC(=C=O)c1cccc(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.42
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
EGFR P00533 2/20 0.36
PTGS1 P23219 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5489563 0.81 HPGD (0.45) POLBALDH1A1KDM4EGAA
SCHEMBL5200753 0.81 PARP1 (0.43) NPC1LMNAPOLBALDH1A1KDM4E
SCHEMBL5776042 0.79 NOS1 (0.42) ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL289811 0.79 EGFR (0.50) NPC1ALDH1A1KDM4EEGFRRAB9A
SCHEMBL5771539 0.77 CES2 (0.50) LMNAPOLBALDH1A1OPRM1PTGS1
SCHEMBL5796510 0.77 MAPT (0.56) NPC1LMNAPOLBALDH1A1GAA
SCHEMBL5779568 0.76 BCHE (0.43)
SCHEMBL5779117 0.74 MEP1B (0.41) MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL847542 0.71 ALDH1A1 (0.44) LMNAALDH1A1KDM4EOPRM1OPRD1
SCHEMBL5185723 0.69 MAOA (0.41) NPC1LMNAALDH1A1KDM4EOPRM1

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