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SCHEMBL17144014

SCHEMBL17144014

O=C(O)NC1CCCC(n2cnc3c(Cl)nc(Cl)nc32)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.44
▸ ADORA1 P30542 13/20 0.44
▸ ADORA2A P29274 9/20 0.44
▸ ADRA2A P08913 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ TSPO P30536 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ CHKA P35790 3/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL17150901 0.86 KMT2A (0.45) ADORA3ADORA1ADORA2A
SCHEMBL17144141 0.82 CDK1 (0.57) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL16714635 0.80 ADORA2A (0.49) ADORA3ADORA1ADORA2AADRA2AHTR2C
SCHEMBL786455 0.78 ADORA2A (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL30332114 0.78 ADORA2A (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL786016 0.76 ADORA2A (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL30584024 0.76 ADORA2A (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL17144451 0.75 LMNA (0.41) ADORA3CHKA
SCHEMBL21176096 0.75 CHKA (0.63) CHKA
SCHEMBL21176097 0.75 CHKA (0.63) CHKA

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-2015151006-A1 SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS LUPIN LIMITED (IN) 2015-10-08 — — WO disclosed