SCHEMBL3926510

SCHEMBL3926510

CCC(CC)c1cc(C)nn2c(-c3sc(NC4CC4)nc3C)c(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.53
CRHR2 Q13324 1/20 0.52
CDK4 P11802 6/20 0.33
CCND1 P24385 6/20 0.33
CCND3 P30281 5/20 0.33
CDK6 Q00534 5/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CDK7 P50613 4/20 0.33
CCNH P51946 4/20 0.33
CCNT1 O60563 4/20 0.33
CDK9 P50750 4/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
PI4KB Q9UBF8 4/20 0.32
SMPD3 Q9NY59 4/20 0.32
ACHE P22303 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL3925880 0.86 CRHR1 (0.58) CRHR1CRHR2CCNA2CDK2CDK7
SCHEMBL3930746 0.86 CRHR1 (0.52) CRHR1CRHR2PI4KBACHE
SCHEMBL13614548 0.85 CRHR1 (0.57) CRHR1CRHR2CDK4CDK2CDK7
SCHEMBL3926385 0.85 CRHR1 (0.57) CRHR1CRHR2
SCHEMBL3932242 0.84 CRHR1 (0.56) CRHR1CRHR2CDK4CCND1CCND3
SCHEMBL3921424 0.84 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL3926829 0.83 CRHR1 (0.55) CRHR1CRHR2PI4KB
SCHEMBL3932532 0.82 CRHR1 (0.54) CRHR1CRHR2
SCHEMBL3935105 0.82 CRHR1 (0.53) CRHR1CRHR2CDK4CCNA2CDK2
SCHEMBL3922635 0.81 CRHR1 (0.62) CRHR1CRHR2SMPD3

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