SCHEMBL7964689

SCHEMBL7964689

Cc1nc(O)c2c(C)nn(-c3c(Cl)cc(Cl)cc3Cl)c2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.56
CCND1 P24385 15/20 0.56
CCNE2 O96020 11/20 0.43
CCNE1 P24864 11/20 0.43
CDK2 P24941 11/20 0.43
CCNB2 O95067 5/20 0.43
CDK1 P06493 5/20 0.43
CCNB1 P14635 5/20 0.43
CCNB3 Q8WWL7 5/20 0.43
CRHR1 P34998 2/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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 0.84 CCNE2 (0.60) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7953100 0.84 CDK4 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7965323 0.82 CDK4 (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7961654 0.79 CRHR1 (0.54) CDK4CCND1CRHR1HPGD
SCHEMBL7953211 0.74 CDK4 (0.56) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7965911 0.72 CRHR1 (0.63) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL5826757 0.72 CDK4 (0.54) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7969123 0.71 CDK4 (0.67) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL8126327 0.71 CDK4 (0.44) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL7967892 0.71 CDK4 (0.50) 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 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