SCHEMBL3840869

SCHEMBL3840869

CCc1cnc(CC)c(NC2c3ccccc3CC2O)n1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL3840872 1.00 CRHR1 (0.43) CRHR1AURKARPS6KB1
SCHEMBL3844530 1.00 CRHR1 (0.43) CRHR1AURKARPS6KB1
SCHEMBL3842234 0.89 CRHR1 (0.46) CRHR1AURKARPS6KB1
SCHEMBL6643610 0.89 CRHR1 (0.46) CRHR1AURKARPS6KB1
SCHEMBL6101651 0.89 CRHR1 (0.38) CRHR1
SCHEMBL6101658 0.89 CRHR1 (0.38) CRHR1
SCHEMBL6101659 0.89 CRHR1 (0.38) CRHR1
SCHEMBL6643389 0.88 AURKA (0.43) CRHR1AURKARPS6KB1
SCHEMBL3845876 0.88 AURKA (0.43) CRHR1AURKARPS6KB1
SCHEMBL3843649 0.86 CRHR1 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 WO disclosed