SCHEMBL24651179

SCHEMBL24651179

Cc1cn(SI)c2ncnc(N)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 3/20 0.44
▸ EGFR P00533 4/20 0.40
▸ SRC P12931 4/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MTOR P42345 3/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ PRKDC P78527 1/20 0.35

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
SCHEMBL24458341 0.83 ADK (0.44) ADKEGFRSRCCDK1LRRK2
SCHEMBL23735270 0.77 ADK (0.47) ADKEGFRSRCCDK1LRRK2
SCHEMBL463027 0.75 ADK (0.48) ADKEGFRSRCCDK1LRRK2
SCHEMBL19304156 0.71 SRC (0.62) ADKEGFRSRCKDM4EHTT
SCHEMBL2618932 0.71 PIK3CD (0.52) ADKSRCKDRPIK3CDPIK3CA
SCHEMBL26084925 0.70 PRMT5 (0.30) —
SCHEMBL20016719 0.70 — —
SCHEMBL10261916 0.69 ADK (0.55) ADKEGFRSRCLRRK2ABL1
SCHEMBL24072104 0.69 RIPK2 (0.61) ADKEGFRSRCLRRK2ABL1
SCHEMBL24072614 0.69 SRC (0.54) ADKEGFRSRCCDK1LRRK2

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-2022212326-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-06 — — WO disclosed
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