SCHEMBL3932242

SCHEMBL3932242

CCC(CC)c1cc(C)nn2c(-c3sc(NC(C)C)nc3C)c(C)nc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.56
CRHR2 Q13324 1/20 0.52
CDK4 P11802 3/20 0.31
CCNA2 P20248 3/20 0.31
CCND1 P24385 3/20 0.31
CDK2 P24941 3/20 0.31
CCND3 P30281 3/20 0.31
CDK6 Q00534 3/20 0.31
CCNT1 O60563 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CDK7 P50613 2/20 0.31
CDK9 P50750 2/20 0.31
CCNH P51946 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPK14 Q16539 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
SCHEMBL3921424 0.91 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL3925880 0.89 CRHR1 (0.58) CRHR1CRHR2CCNA2CDK2CCNT1
SCHEMBL3926385 0.88 CRHR1 (0.57) CRHR1CRHR2
SCHEMBL13614548 0.88 CRHR1 (0.57) CRHR1CRHR2CDK4CDK2CDK1
SCHEMBL3932532 0.87 CRHR1 (0.54) CRHR1CRHR2
SCHEMBL3926829 0.86 CRHR1 (0.55) CRHR1CRHR2MAPK14
SCHEMBL3931252 0.86 CRHR1 (0.51) CRHR1CRHR2
SCHEMBL3931255 0.85 CRHR1 (0.50) CRHR1CRHR2
SCHEMBL3923292 0.84 CRHR1 (0.49) CRHR1CRHR2
SCHEMBL3935105 0.84 CRHR1 (0.53) CRHR1CRHR2CDK4CCNA2CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed