SCHEMBL29998401

SCHEMBL29998401

C#CCn1nc(I)c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.54
▸ PRKDC P78527 1/20 0.54
▸ CSNK1A1 P48729 3/20 0.47
▸ CLK2 P49760 3/20 0.47
▸ CDK5 Q00535 3/20 0.47
▸ DYRK1A Q13627 3/20 0.47
▸ NTRK3 Q16288 3/20 0.47
▸ CLK4 Q9HAZ1 3/20 0.47
▸ DYRK3 O43781 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ ROS1 P08922 2/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CSNK1D P48730 2/20 0.47
▸ IRAK1 P51617 2/20 0.47
▸ SLK Q9H2G2 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MAP4K4 O95819 2/20 0.47
▸ LCK P06239 2/20 0.47

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
SCHEMBL27088012 1.00 PIK3CD (0.54) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL27087999 0.85 SRC (0.45) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL22215343 0.83 PIK3CD (0.55) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL868744 0.80 PIK3CD (0.51) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL16701523 0.78 ADK (0.49) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL4572201 0.77 RET (0.48) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL868521 0.77 DYRK3 (0.51) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL24096485 0.76 PIK3CG (0.54) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL19283009 0.76 ADK (0.49) PIK3CDPRKDCCSNK1A1CLK2CDK5
SCHEMBL17936088 0.76 MAPK1 (0.47) PIK3CDPRKDCCSNK1A1CLK2CDK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 — — WO disclosed
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