SCHEMBL7965709

SCHEMBL7965709

CCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.58
KDR P35968 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.48
CDK4 P11802 8/20 0.46
CCND1 P24385 8/20 0.46
CCNE2 O96020 4/20 0.41
CCNE1 P24864 4/20 0.41
CDK2 P24941 4/20 0.41
GABRB3 P28472 6/20 0.40
GABRA2 P47869 4/20 0.40
GABRB2 P47870 4/20 0.40
GABRP O00591 3/20 0.40
GABRD O14764 3/20 0.40
GABRA1 P14867 3/20 0.40
GABRB1 P18505 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA4 P48169 3/20 0.40
GABRE P78334 3/20 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
SCHEMBL6208684 0.90 SRC (0.57) SRCKDRL3MBTL1CDK4CCND1
SCHEMBL6208048 0.76 KDR (0.57) SRCKDRL3MBTL1CDK4CCND1
SCHEMBL6209612 0.76 SRC (0.57) SRCKDRL3MBTL1CDK4CCND1
SCHEMBL6209806 0.76 GABRP (0.61) SRCKDRL3MBTL1CDK4CCND1
SCHEMBL8783602 0.76 GABRP (0.55) SRCKDRL3MBTL1CDK4CCND1
SCHEMBL6639416 0.75 GABRP (0.53) SRCKDRL3MBTL1GABRB3GABRA2
SCHEMBL14833763 0.73 KDR (1.00) SRCKDRL3MBTL1CCNE1CDK2
SCHEMBL6208512 0.73 KDR (0.56) SRCKDRL3MBTL1CDK4CCND1
SCHEMBL10389978 0.72 GABRP (0.58) SRCKDRL3MBTL1GABRB3GABRA2
SCHEMBL3450535 0.71 SMN1; SMN2 (0.50) KDRL3MBTL1RIPK2

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