SCHEMBL7519982

SCHEMBL7519982

CCc1cc2c(Cl)nc(-c3cccnc3)nc2s1.CCc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3cccnc3)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PRKCI P41743 3/20 0.47
GBA1 P04062 9/20 0.43
PDE5A O76074 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BCDIN3D Q7Z5W3 1/20 0.41
CLK4 Q9HAZ1 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL5122898 0.95 MAPT (0.56) MAPTNPSR1PRKCIGBA1PDE5A
SCHEMBL7514104 0.91 MAPT (0.54) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL7519905 0.90 PRKCI (0.58) MAPTNPSR1PRKCIPDE5AKDM4E
SCHEMBL7614371 0.90 PRKCI (0.51) MAPTNPSR1PRKCIGBA1PDE5A
SCHEMBL5812312 0.88 PRKCI (0.43) MAPTNPSR1PRKCIPDE5AKDM4E
SCHEMBL5125323 0.88 MAPT (0.57) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL5808881 0.87 MAPT (0.56) MAPTNPSR1PRKCIGBA1PDE5A
SCHEMBL5123618 0.87 MAPT (0.68) MAPTNPSR1PRKCIGBA1PDE5A
SCHEMBL7513594 0.86 MAPT (0.49) MAPTNPSR1GBA1PDE5AKDM4E
SCHEMBL5129771 0.86 MAPT (0.57) MAPTNPSR1GBA1PDE5AKDM4E

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-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed