SCHEMBL22437141

SCHEMBL22437141

Cc1nn(C)c2c(Cl)cncc12

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ NMT1 P30419 2/20 0.33
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31

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
SCHEMBL24122038 0.80 ADORA2A (0.42) ADORA2AADORA2B
SCHEMBL27192311 0.77 ADORA2A (0.39) ADORA2AADORA2BNMT1MAPK8
SCHEMBL27192302 0.77 ADORA2A (0.44) ADORA2AADORA2B
SCHEMBL31298625 0.77 SSTR4 (0.33) MAPK8
SCHEMBL13106267 0.73 ADORA2A (0.44) ADORA2AADORA2BNMT1MAPK8MAPK9
SCHEMBL13106312 0.73 ADORA2A (0.44) ADORA2AADORA2BNMT1MAPK8MAPK9
SCHEMBL13106244 0.73 SSTR4 (0.40) ADORA2AADORA2B
SCHEMBL13106253 0.72 NMT1 (0.49) ADORA2AADORA2BNMT1MAPK8MAPK9
SCHEMBL13106308 0.70 ADORA2A (0.41) ADORA2AADORA2BNMT1MAPK8MAPK9
SCHEMBL26236069 0.68 KDM4E (0.39) —

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-3710428-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-23 — — EP disclosed
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