SCHEMBL7375370

SCHEMBL7375370

O=C(Nc1cc(C(F)(F)F)cs1)Nc1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 9/20 0.50
GSK3B P49841 7/20 0.50
KDR P35968 6/20 0.50
GSK3A P49840 6/20 0.50
CLK2 P49760 6/20 0.50
STK17A Q9UEE5 5/20 0.50
PRKD3 O94806 4/20 0.50
MAP4K4 O95819 4/20 0.50
AURKB Q96GD4 4/20 0.50
HIPK4 Q8NE63 4/20 0.50
CDK5 Q00535 4/20 0.50
DYRK1A Q13627 4/20 0.50
STK3 Q13188 3/20 0.50
PBK Q96KB5 3/20 0.50
PRKD2 Q9BZL6 3/20 0.50
CDK2 P24941 3/20 0.50
LIMK1 P53667 3/20 0.50
PIM3 Q86V86 3/20 0.50
SGK2 Q9HBY8 3/20 0.50
MAP3K20 Q9NYL2 3/20 0.50

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
Hydrochloric Acid SCHEMBL7656149 0.99 CLK4 (0.49) CLK4GSK3BKDRGSK3ACLK2
Hydrochloric Acid SCHEMBL7659942 0.82 HTR2C (0.54) CLK4GSK3BKDRGSK3ACLK2
Hydrochloric Acid SCHEMBL7653204 0.79 HTR2C (0.54) CLK4GSK3BKDRGSK3ACLK2
SCHEMBL27579461 0.78 PLK4 (0.73) CLK4GSK3BKDRGSK3ACLK2
SCHEMBL10965342 0.77 MAPT (0.48) KDR
Hydrochloric Acid SCHEMBL7659429 0.75 CLK4 (0.50) CLK4GSK3BKDRGSK3ACLK2
SCHEMBL10008185 0.72 CLK4 (0.78) CLK4GSK3BKDRGSK3ACLK2
SCHEMBL3807061 0.72 HTR2C (0.73) CLK4GSK3BKDRGSK3ACLK2
SCHEMBL7654391 0.72 HTR2C (0.67) GSK3BKDRGSK3AHTR2CHTR2B
SCHEMBL3795773 0.71 CLK4 (0.74) CLK4GSK3BKDRGSK3ACLK2

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