SCHEMBL7965323

SCHEMBL7965323

CCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(O)c12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 16/20 0.61
CCND1 P24385 16/20 0.61
CCNE2 O96020 16/20 0.49
CCNE1 P24864 16/20 0.49
CDK2 P24941 16/20 0.49
CCNB2 O95067 6/20 0.47
CDK1 P06493 6/20 0.47
CCNB1 P14635 6/20 0.47
CCNB3 Q8WWL7 6/20 0.47

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
SCHEMBL7968943 0.90 CCNE2 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7964689 0.82 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7953100 0.78 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7967892 0.76 CDK4 (0.50) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7967627 0.73 CDK4 (0.46) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7953211 0.69 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5599666 0.67 CDK4 (0.54) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7965911 0.67 CRHR1 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7044979 0.66 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5611027 0.66 CDK4 (0.55) CDK4CCND1CCNE2CCNE1CDK2

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 2 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