SCHEMBL6201218

SCHEMBL6201218

CCCCCCCOc1nc(Br)c(-c2ccc(OC)cc2Cl)nc1NC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.42
CNR1 P21554 4/20 0.40
CCR4 P51679 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33

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
SCHEMBL6204093 1.00 CRHR1 (0.42) CRHR1CNR1CCR4HSP90AA1HSP90AB1
SCHEMBL6204591 0.99 CRHR1 (0.43) CRHR1CNR1CCR4HSP90AA1HSP90AB1
SCHEMBL6205707 0.92 CRHR1 (0.43) CRHR1CNR1CCR4LIMK1LIMK2
SCHEMBL6203747 0.91 CRHR1 (0.44) CRHR1CNR1CCR4LIMK1LIMK2
SCHEMBL6201596 0.89 CRHR1 (0.48) CRHR1CNR1CDC7DBF4
SCHEMBL6204028 0.89 CRHR1 (0.48) CRHR1CNR1CDC7DBF4
SCHEMBL6203274 0.88 CNR1 (0.40) CRHR1CNR1CCR4LIMK1LIMK2
SCHEMBL6204671 0.88 CRHR1 (0.49) CRHR1CNR1HSP90AA1HSP90AB1CDC7
SCHEMBL6203666 0.87 CRHR1 (0.50) CRHR1CNR1
SCHEMBL6202389 0.83 CRHR1 (0.44) 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