SCHEMBL23316852

SCHEMBL23316852

CC(=N)c1c(Cl)ncnc1NC1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
PIK3CD O00329 2/20 0.32
P2RY12 Q9H244 1/20 0.31
YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL21337669 0.91 ADORA1 (0.35) ADORA3ADORA2AADORA2BADORA1PIK3CD
SCHEMBL19917142 0.80 EGFR (0.44) ADORA3ADORA2AADORA1
SCHEMBL23316958 0.77
SCHEMBL20112029 0.67 P2RY12 (0.32) ADORA3ADORA2AADORA2BADORA1P2RY12
SCHEMBL19489658 0.66 KMT5B (0.31)
SCHEMBL21230671 0.66 HPGD (0.30)
SCHEMBL21397245 0.66 PDE8B (0.34) P2RY12
SCHEMBL19250314 0.65 P2RY12 (0.33) P2RY12
SCHEMBL22243284 0.64 EGFR (0.47) ADORA1PIK3CD
SCHEMBL19917141 0.64 KMT2A (0.41) ADORA3ADORA2AADORA1

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
EP-3356348-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2021-05-05 EP disclosed