SCHEMBL3170371

SCHEMBL3170371

CC(=O)NCCNc1cc(N2CCN(C(=O)c3ccccn3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6A O15550 5/20 0.48
KDM5A P29375 3/20 0.48
KDM5B Q9UGL1 4/20 0.47
KDM6B O15054 4/20 0.47
KDM2B Q8NHM5 4/20 0.47
KDM4C Q9H3R0 3/20 0.47
PHF8 Q9UPP1 3/20 0.47
KDM5C P41229 3/20 0.47
CHRNA1 P02708 2/20 0.47
MAOB P27338 2/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
PDE4B Q07343 2/20 0.47
SCN5A Q14524 2/20 0.47
KDM4A O75164 2/20 0.47
KDM4B O94953 2/20 0.47
KDM3A Q9Y4C1 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAOA P21397 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL3156077 0.93 KDM6A (0.44) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3171007 0.91 KDM6B (0.50) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3155347 0.89 GBA1 (0.49) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3163116 0.88 KDM6B (0.50) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3164783 0.88 KDM6B (0.45) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3161894 0.88 ALDH1A1 (0.47) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3258026 0.88 PTK2 (0.46) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3171321 0.87 GBA1 (0.54) KDM5BKDM6BKDM2BKDM4CPHF8
SCHEMBL3171578 0.87 KDM6B (0.46) KDM6AKDM5AKDM5BKDM6BKDM2B
SCHEMBL3165783 0.87 USP2 (0.43) KDM6AKDM5AKDM5BKDM6BKDM2B

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-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 EP disclosed