SCHEMBL25528998

SCHEMBL25528998

Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)n(N)/c3=N\N)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.41
▸ ADORA1 P30542 12/20 0.38
▸ ADORA2B P29275 11/20 0.38
▸ USP2 O75604 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL25528986 0.88 ADORA2A (0.38) ADORA2AADORA1ADORA2BPIK3CAMAP4K4
SCHEMBL25528882 0.82 SMN1; SMN2 (0.39) USP2KDM4ENPC1HCRTR1ALDH1A1
SCHEMBL25528956 0.79 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL25216212 0.79 ADORA2A (0.44) ADORA2AADORA1ADORA2B
SCHEMBL30359475 0.79 ADORA2A (0.44) ADORA2AADORA1ADORA2B
SCHEMBL25528965 0.78 ADORA2A (0.52) ADORA2AADORA1ADORA2BMAPK14CYP3A4
SCHEMBL29165055 0.76 NR4A2 (0.42) USP2KDM4ENPC1HCRTR1ALDH1A1
SCHEMBL25528944 0.74 KDM4E (0.36) ADORA2AUSP2KDM4ENPC1HCRTR1
SCHEMBL30738436 0.72 HRH2 (0.44) ADORA2AADORA1ADORA2BUSP2KDM4E
SCHEMBL22163950 0.72 HRH2 (0.44) ADORA2AADORA1ADORA2BUSP2KDM4E

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-2023091604-A1 ADENOSINE RECEPTOR ANTAGONISTS CROSSIGNAL THERAPEUTICS, INC. (US) 2023-05-25 — — WO disclosed
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