SCHEMBL6202588

SCHEMBL6202588

CCCCCOc1nc(CC)c(-c2c(F)cc(OC)cc2OC)nc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.38
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CDK1 P06493 2/20 0.32
CDK2 P24941 2/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 1/20 0.32
CSF1R P07333 1/20 0.32
PIM1 P11309 1/20 0.32
RPS6KB1 P23443 1/20 0.32
MARK3 P27448 1/20 0.32

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
SCHEMBL6202092 0.81 CRHR1 (0.37) CRHR1CDK1CDK2PLK4CHEK1
SCHEMBL5449499 0.81 CRHR1 (0.46) CRHR1CDK1CDK2PLK4CHEK1
SCHEMBL5444215 0.80 CRHR1 (0.36) CRHR1CDK1CDK2PLK4CHEK1
SCHEMBL7478697 0.79 CRHR1 (0.49) CRHR1
SCHEMBL7475280 0.78 MCHR1 (0.39) CRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL7474497 0.77 MCHR1 (0.40) SMN1; SMN2
SCHEMBL7473334 0.77 CRHR1 (0.45) CRHR1THRATHRBCDK1CDK2
SCHEMBL7470192 0.75 CRHR1 (0.59) CRHR1THRATHRB
SCHEMBL7477213 0.74 CRHR1 (0.39) CRHR1CDK1CDK2PLK4CHEK1
SCHEMBL7474501 0.73 CRHR1 (0.59) CRHR1NPC1CYP1A2CYP2C9CYP2C19

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