SCHEMBL8306375

SCHEMBL8306375

NCCNc1cc2c(NC3CCCCC3)ncnc2cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.49
HPGDS O60760 1/20 0.48
CD38 P28907 1/20 0.47

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
SCHEMBL8306177 0.86 GRM1 (0.55) GRM1
SCHEMBL8308420 0.83 EGFR (0.57) GRM1
SCHEMBL8308039 0.83 EGFR (0.57) GRM1
SCHEMBL8308696 0.82 EGFR (0.58) GRM1
SCHEMBL8312573 0.82 EGFR (0.52) GRM1
SCHEMBL6369264 0.82 GRM1 (0.45) GRM1
SCHEMBL8312990 0.80 MEN1 (0.44) GRM1
SCHEMBL8312604 0.80 EGFR (0.61)
SCHEMBL8313080 0.78 EGFR (0.61)
SCHEMBL6368111 0.75 CD38 (0.54) HPGDSCD38

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016925-A1 AZAQUINAZOLINE DERIVATIVES PFIZER LIMITED (GB) 2005-02-24 WO disclosed