SCHEMBL7963111

SCHEMBL7963111

Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.48
SRC P12931 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
GABRP O00591 7/20 0.38
GABRD O14764 7/20 0.38
GABRA1 P14867 7/20 0.38
GABRB1 P18505 7/20 0.38
GABRG2 P18507 7/20 0.38
GABRB3 P28472 7/20 0.38
GABRA5 P31644 7/20 0.38
GABRA3 P34903 7/20 0.38
GABRA2 P47869 7/20 0.38
GABRB2 P47870 7/20 0.38

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
SCHEMBL8783671 0.79 HPGD (0.58) KDRSRCL3MBTL1HPGDMEN1
SCHEMBL10389978 0.77 GABRP (0.58) KDRSRCL3MBTL1HPGDMEN1
SCHEMBL10370302 0.75 MEN1 (0.47) KDRSRCL3MBTL1HPGDMEN1
SCHEMBL6967743 0.75 GABRP (0.48) KDRSRCL3MBTL1HPGDMEN1
SCHEMBL7581732 0.75 HPGD (0.48) KDRSRCL3MBTL1HPGDMEN1
SCHEMBL6922953 0.74 GABRA2 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10540919 0.73 GABRP (0.45) KDRL3MBTL1HPGDMEN1KMT2A
SCHEMBL6926818 0.71 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6208048 0.70 KDR (0.57) KDRSRCL3MBTL1HPGDMEN1
SCHEMBL6208684 0.70 SRC (0.57) KDRSRCL3MBTL1CDK4CCND1

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