SCHEMBL6202092

SCHEMBL6202092

CCc1nc(-c2c(F)cc(OC)cc2OC)c(CC)nc1OCC(C)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.37
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
NTRK1 P04629 1/20 0.30
LCK P06239 1/20 0.30
CDK1 P06493 1/20 0.30
CSF1R P07333 1/20 0.30
PIM1 P11309 1/20 0.30
RPS6KB1 P23443 1/20 0.30
CDK2 P24941 1/20 0.30
MARK3 P27448 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
CSNK1D P48730 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
PRKAA1 Q13131 1/20 0.30

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
SCHEMBL5444215 0.81 CRHR1 (0.36) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL6202588 0.81 CRHR1 (0.38) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL7482395 0.81 CRHR1 (0.56) CRHR1
SCHEMBL5449499 0.80 CRHR1 (0.46) CRHR1PLK4CHEK1AURKANTRK1
SCHEMBL7474054 0.76 CRHR1 (0.61) CRHR1
SCHEMBL7473836 0.75 CRHR1 (0.34) CRHR1
SCHEMBL6204481 0.74 CRHR1 (0.45) CRHR1
SCHEMBL6201876 0.72 CRHR1 (0.48) CRHR1
SCHEMBL7479803 0.70 CRHR1 (0.54) CRHR1
SCHEMBL6199707 0.70 CRHR1 (0.57) CRHR1

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-1554258-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2005-07-20 EP claimed
WO-2004018437-A1 5-SUBSTITUTED-2-ARYLPYRAZINES AS MODULATORS OF CRF RECEPTORS NEUROGEN CORPORATION (US) 2004-03-04 WO claimed