SCHEMBL7369643

SCHEMBL7369643

O=C(NC1=COCO1)Nc1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.54
CDK5 Q00535 2/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
PDPK1 O15530 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
CHEK2 O96017 1/20 0.54
CDK1 P06493 1/20 0.54
PIM1 P11309 1/20 0.54
RPS6KB1 P23443 1/20 0.54
FLT4 P35916 1/20 0.54
KDR P35968 1/20 0.54
CSNK1D P48730 1/20 0.54
CDK8 P49336 1/20 0.54
CLK2 P49760 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
IRAK1 P51617 1/20 0.54
LIMK1 P53667 1/20 0.54

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
SCHEMBL27579461 0.82 PLK4 (0.73) CDK2CDK5PLK4CHEK1PDPK1
SCHEMBL3807061 0.76 HTR2C (0.73) CDK2CDK5PLK4CHEK1PDPK1
Hydrochloric Acid SCHEMBL7656183 0.74 RAB9A (0.61) HTR2CHTR2BKMT2ALMNASMN1; SMN2
SCHEMBL10296624 0.73 PIM1 (0.73) CDK2CDK5PLK4CHEK1PDPK1
SCHEMBL7372365 0.73 PABPC1 (0.61) CDK2CDK5PLK4CHEK1PDPK1
SCHEMBL7657666 0.73 HTR2C (0.62) CDK2CDK5PLK4CHEK1PDPK1
SCHEMBL13100945 0.73 PTPN1 (0.60) CDK2CDK5PLK4CHEK1PDPK1
Dimethylamine SCHEMBL7660199 0.72 HTR2C (0.72) CDK2CDK5PLK4CHEK1PDPK1
SCHEMBL7370878 0.72 HTR2C (0.67) CDK2CDK5PLK4CHEK1PDPK1
SCHEMBL7370108 0.72 PTPN1 (0.67) CDK2CDK5PLK4CHEK1PDPK1

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-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