SCHEMBL7965430

SCHEMBL7965430

CSc1nn(-c2c(C)cc(C)cc2C)c2nc(C)nc(O)c12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 18/20 0.62
CCND1 P24385 18/20 0.62
CRHR1 P34998 2/20 0.42
CCNE2 O96020 7/20 0.42
CCNE1 P24864 7/20 0.42
CDK2 P24941 7/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL7961654 0.83 CRHR1 (0.54) CDK4CCND1CRHR1
SCHEMBL7953100 0.82 CDK4 (0.63) CDK4CCND1CRHR1CCNE2CCNE1
SCHEMBL5601000 0.79 CDK4 (0.53) CDK4CCND1CRHR1CCNE2CCNE1
SCHEMBL7969123 0.77 CDK4 (0.67) CDK4CCND1CRHR1CCNE2CCNE1
SCHEMBL7964095 0.74 CDK4 (0.47) CDK4CCND1CRHR1
SCHEMBL7953339 0.70 CRHR1 (0.49) CDK4CCND1CRHR1CCNE2CCNE1
SCHEMBL8122423 0.70 CRHR1 (0.55) CDK4CCND1CRHR1
SCHEMBL7965911 0.68 CRHR1 (0.63) CDK4CCND1CRHR1CCNE2CCNE1
SCHEMBL7967691 0.66 PLK4 (0.54) CDK4CCND1
SCHEMBL7965665 0.65 CDK4 (0.56) CDK4CCND1CRHR1CCNE2CCNE1

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
US-6218397-B1 FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES PFIZER INC 2001-04-17 US disclosed
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 EP disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed