SCHEMBL9040263

SCHEMBL9040263

c1ccc2c(c1)CC(Nc1ncnc3ccccc13)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.58

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
SCHEMBL16082283 0.86 GBA1 (0.53) GBA1
SCHEMBL6641841 0.82 IRAK4 (0.56) GBA1
SCHEMBL27504590 0.81 PDE5A (0.58)
SCHEMBL6641030 0.80 GBA1 (0.45) GBA1
SCHEMBL6368146 0.80 GRM1 (0.55) GBA1
SCHEMBL16082203 0.79 ABCG2 (0.58)
SCHEMBL31151143 0.79 DRD2 (0.57)
SCHEMBL17652208 0.78 IRAK4 (0.68)
SCHEMBL16082245 0.78 GBA1 (0.45) GBA1
SCHEMBL6639888 0.77 HPGDS (0.64)

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-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP claimed
EP-0602851-B1 Quinazoline derivatives ZENECA LTD (GB) 1996-10-09 EP disclosed