SCHEMBL7369937

SCHEMBL7369937

O=C(Nc1ccc(Cl)cc1)Nc1ccnc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.70
HTR2B P41595 8/20 0.70
IGF1R P08069 2/20 0.66
PLK4 O00444 1/20 0.59
CHEK1 O14757 1/20 0.59
PDPK1 O15530 1/20 0.59
PRKD3 O94806 1/20 0.59
MAP4K4 O95819 1/20 0.59
CHEK2 O96017 1/20 0.59
CDK1 P06493 1/20 0.59
PIM1 P11309 1/20 0.59
RPS6KB1 P23443 1/20 0.59
CDK2 P24941 1/20 0.59
FLT4 P35916 1/20 0.59
KDR P35968 1/20 0.59
CSNK1D P48730 1/20 0.59
CDK8 P49336 1/20 0.59
CLK2 P49760 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59

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
SCHEMBL3807061 0.88 HTR2C (0.73) HTR2CHTR2BPLK4CHEK1PDPK1
SCHEMBL27579461 0.87 PLK4 (0.73) HTR2CHTR2BPLK4CHEK1PDPK1
Hydrochloric Acid SCHEMBL7654414 0.86 HTR2C (0.63) HTR2CHTR2BIGF1RPLK4CHEK1
SCHEMBL7656126 0.86 MAPT (0.63) HTR2CHTR2BIGF1RKDRGSK3A
SCHEMBL7371124 0.85 FADS1 (0.67) HTR2CHTR2BPLK4CHEK1PDPK1
SCHEMBL7369475 0.85 HTR2C (0.75) HTR2CHTR2BPLK4CHEK1PDPK1
Hydrochloric Acid SCHEMBL7658380 0.85 HTR2C (0.69) HTR2CHTR2BPLK4CHEK1PDPK1
Dimethylamine SCHEMBL7660199 0.84 HTR2C (0.72) HTR2CHTR2BPLK4CHEK1PDPK1
SCHEMBL7370878 0.84 HTR2C (0.67) HTR2CHTR2BIGF1RPLK4CHEK1
SCHEMBL7373324 0.84 HTR2C (0.68) HTR2CHTR2BPLK4CHEK1PDPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed