SCHEMBL25528890

SCHEMBL25528890

Cn1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)/c(=N/N)n3N)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.47
▸ DYRK1A Q13627 3/20 0.46
▸ ADORA2A P29274 5/20 0.42
▸ ADORA1 P30542 5/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ CYP3A4 P08684 3/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ CSNK1D P48730 1/20 0.37

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
SCHEMBL25528965 0.81 ADORA2A (0.52) MAPK14DYRK1AADORA2AADORA1ADORA2B
SCHEMBL25208823 0.78 ADORA2A (0.47) MAPK14DYRK1AADORA2AADORA1ADORA2B
SCHEMBL25528882 0.78 SMN1; SMN2 (0.39) MAPK14ABL1EGFRMAPK1KDR
SCHEMBL20600738 0.77 GRIA1 (0.48) MAPK14DYRK1AADORA2AADORA1ADORA2B
SCHEMBL25528877 0.76 ADORA2A (0.45) MAPK14ADORA2AADORA1ADORA2BPDE4A
SCHEMBL18041561 0.76 MAPK14 (0.61) MAPK14DYRK1AADORA2AADORA1ADORA2B
SCHEMBL29676815 0.76 MAPK14 (0.61) MAPK14DYRK1AADORA2AADORA1ADORA2B
SCHEMBL20600796 0.74 ADORA2A (0.46) MAPK14DYRK1AADORA2AADORA1ADORA2B
SCHEMBL21730197 0.74 ADORA2A (0.57) MAPK14DYRK1AADORA2AADORA1ADORA2B
SCHEMBL29907552 0.74 ADORA2A (0.57) MAPK14DYRK1AADORA2AADORA1ADORA2B

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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