SCHEMBL7965911

SCHEMBL7965911

CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(Cl)c12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.63
CDK4 P11802 19/20 0.62
CCND1 P24385 19/20 0.62
CCNE2 O96020 9/20 0.62
CCNE1 P24864 9/20 0.62
CDK2 P24941 9/20 0.62
CCNB2 O95067 1/20 0.62
CDK1 P06493 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNB3 Q8WWL7 1/20 0.62

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
SCHEMBL7953100 0.87 CDK4 (0.63) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL8113413 0.84 CDK4 (0.58) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7044978 0.82 CDK4 (0.55) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7044979 0.82 CDK4 (0.55) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5611027 0.82 CDK4 (0.55) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7967892 0.80 CDK4 (0.50) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5599666 0.80 CDK4 (0.54) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL7965661 0.80 CDK4 (0.62) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5600331 0.78 CDK4 (0.53) CRHR1CDK4CCND1CCNE2CCNE1
SCHEMBL5600850 0.78 CDK4 (0.51) CRHR1CDK4CCND1CCNE2CCNE1

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 4 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
EP-0674642-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed