SCHEMBL7104529

SCHEMBL7104529

N=c1[nH]c2ccccc2n1CCCNc1nccc(-c2ccc(O)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 4/20 0.40
MKNK1 Q9BUB5 3/20 0.40
CDK4 P11802 1/20 0.40
GSK3B P49841 1/20 0.40
KDR P35968 1/20 0.37
PLK1 P53350 1/20 0.37
PTK2 Q05397 1/20 0.37
AURKB Q96GD4 1/20 0.37
DYRK1B Q9Y463 2/20 0.36
BRAF P15056 6/20 0.36
MAPK14 Q16539 1/20 0.36
JAK2 O60674 1/20 0.35
RAF1 P04049 2/20 0.35
VCP P55072 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL5091987 0.78 CXCR4 (0.50) MKNK1KDRPLK1PTK2AURKB
SCHEMBL5100147 0.76 POLB (0.48) EIF2AK2
SCHEMBL5100134 0.76 MKNK1 (0.46) MKNK1KDRPLK1PTK2AURKB
SCHEMBL5101136 0.71 DRD4 (0.51) EIF2AK2MKNK1DYRK1BJAK2VCP
SCHEMBL5091979 0.69 PLK1 (0.39) EIF2AK2MKNK1PLK1DYRK1BBRAF
SCHEMBL5462899 0.68 CDK4 (0.44) CDK4GSK3BCDK2
SCHEMBL5091272 0.67 JAK2 (0.41) EIF2AK2MKNK1CDK4DYRK1BBRAF
SCHEMBL5091970 0.67 PIM1 (0.39) EIF2AK2MKNK1PLK1DYRK1BBRAF
SCHEMBL7104522 0.65 JAK2 (0.38) EIF2AK2MKNK1CDK4PLK1DYRK1B
SCHEMBL5091556 0.65 DYRK1A (0.56) EIF2AK2DYRK1BJAK2

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed