SCHEMBL7969123

SCHEMBL7969123

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.67
CCND1 P24385 4/20 0.67
CRHR1 P34998 1/20 0.56
GABRP O00591 15/20 0.54
GABRD O14764 15/20 0.54
GABRA1 P14867 15/20 0.54
GABRB1 P18505 15/20 0.54
GABRG2 P18507 15/20 0.54
GABRB3 P28472 15/20 0.54
GABRA5 P31644 15/20 0.54
GABRA3 P34903 15/20 0.54
GABRA2 P47869 15/20 0.54
GABRB2 P47870 15/20 0.54
GABRA4 P48169 15/20 0.54
GABRE P78334 15/20 0.54
GABRA6 Q16445 15/20 0.54
GABRG1 Q8N1C3 15/20 0.54
GABRG3 Q99928 15/20 0.54
GABRQ Q9UN88 15/20 0.54
CCNB2 O95067 1/20 0.49

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) CDK4CCND1CRHR1CCNB2CCNE2
SCHEMBL7961966 0.83 CDK4 (0.59) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL7965665 0.81 CDK4 (0.56) CDK4CCND1CRHR1CCNB2CCNE2
SCHEMBL7965430 0.77 CDK4 (0.62) CDK4CCND1CRHR1CCNB2CCNE2
SCHEMBL7967758 0.74 GABRP (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7965911 0.74 CRHR1 (0.63) CDK4CCND1CRHR1CCNB2CCNE2
SCHEMBL7965698 0.74 CDK4 (0.47) CDK4CCND1CRHR1GABRPGABRD
SCHEMBL7961465 0.74 CRHR1 (0.48) CDK4CCND1CRHR1GABRPGABRD
SCHEMBL7964689 0.71 CDK4 (0.56) CDK4CCND1CRHR1CCNB2CCNE2
SCHEMBL10389983 0.70 GABRP (0.56) CDK4CCND1GABRPGABRDGABRA1

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