SCHEMBL9285347

SCHEMBL9285347

CSc1nn(-c2c(Cl)cc(Cl)cc2C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
CRHR1 P34998 1/20 0.43
GABRP O00591 18/20 0.41
GABRD O14764 18/20 0.41
GABRA1 P14867 18/20 0.41
GABRB1 P18505 18/20 0.41
GABRG2 P18507 18/20 0.41
GABRB3 P28472 18/20 0.41
GABRA5 P31644 18/20 0.41
GABRA3 P34903 18/20 0.41
GABRA2 P47869 18/20 0.41
GABRB2 P47870 18/20 0.41
GABRA4 P48169 18/20 0.41
GABRE P78334 18/20 0.41
GABRA6 Q16445 18/20 0.41
GABRG1 Q8N1C3 18/20 0.41
GABRG3 Q99928 18/20 0.41
GABRQ Q9UN88 18/20 0.41

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
SCHEMBL7965183 0.70 CDK4 (0.60) CDK4CCND1CRHR1GABRPGABRD
SCHEMBL7967756 0.70 GABRP (0.61) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL6926985 0.67 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6923209 0.65 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7673341 0.64 L3MBTL1 (0.34) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL9815197 0.63 CDK4 (0.38) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL9768186 0.61 GABRP (0.57) CDK4CCND1GABRPGABRDGABRA1
SCHEMBL13696501 0.60 HSD11B1 (0.37) CDK4CCND1CRHR1
SCHEMBL27796545 0.60 ALDH1A1 (0.52)
SCHEMBL9662115 0.59 GABRP (0.35) CDK4CCND1CRHR1GABRPGABRD

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
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