SCHEMBL29875720

SCHEMBL29875720

Nc1nc(Cl)cc(-n2ccnn2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
NOTUM Q6P988 12/20 0.43
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAP3K5 Q99683 1/20 0.34
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL20416864 0.76 KDM4E (0.46) CYP1A2CYP2D6MAPTNOTUMKMT2A
SCHEMBL10691665 0.72 NOTUM (0.66) CYP1A2NOTUM
SCHEMBL29876396 0.69 ADORA2A (0.44) MAPTKDM4E
SCHEMBL20242767 0.69 NOTUM (0.41) NOTUMMAP3K5
SCHEMBL3625872 0.69 MAPT (0.45) CYP1A2CYP2D6MAPTKMT2ALMNA
SCHEMBL3510845 0.68 NOTUM (0.50) CYP1A2CYP2D6NOTUMKMT2AMAP3K5
SCHEMBL140640 0.67
SCHEMBL19814823 0.66 NOTUM (0.52) CYP1A2NOTUM
SCHEMBL23931283 0.66 MAPT (0.62) CYP1A2CYP2D6MAPTKMT2ALMNA
SCHEMBL1318180 0.66 MAPT (0.72) CYP1A2CYP2D6MAPTKMT2ALMNA

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-2022203267-A1 DUAL ANTAGONIST FOR ADENOSINE A2A RECEPTOR AND ADENOSINE A2B RECEPTOR AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed