SCHEMBL30320537

SCHEMBL30320537

Nc1ccc(-c2nn(C3CC(OCc4ccccc4)C3)c3ncnc(N)c23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 17/20 0.52
▸ BTK Q06187 7/20 0.52
▸ EGFR P00533 13/20 0.50
▸ PIK3CA P42336 12/20 0.50
▸ PIK3CB P42338 12/20 0.50
▸ PIK3CG P48736 12/20 0.50
▸ PRKDC P78527 12/20 0.50
▸ ABL1 P00519 11/20 0.50
▸ HCK P08631 11/20 0.50
▸ SRC P12931 11/20 0.50
▸ KDR P35968 11/20 0.50
▸ MTOR P42345 11/20 0.50
▸ EPHB4 P54760 10/20 0.50
▸ PI4KB Q9UBF8 9/20 0.50
▸ LCK P06239 1/20 0.48
▸ LYN P07948 1/20 0.48

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
SCHEMBL24096503 1.00 PIK3CD (0.52) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL27586507 0.84 BTK (0.69) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL30180719 0.82 RIPK2 (0.62) BTKEGFRPIK3CGABL1HCK
SCHEMBL23966762 0.82 RIPK2 (0.62) BTKEGFRPIK3CGABL1HCK
SCHEMBL24096758 0.80 PIK3CD (0.69) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL29998830 0.80 PIK3CD (0.69) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL24096712 0.80 RET (0.45) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL22944055 0.79 RET (0.44) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL20746345 0.79 RET (0.44) PIK3CDBTKEGFRPIK3CAPIK3CB
SCHEMBL20744755 0.79 JAK2 (0.45) PIK3CDBTKEGFRPIK3CAPIK3CB

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
CN-116075513-A Inhibitors of NEK7 kinase 哈利亚治疗公司 2023-05-05 — — CN disclosed
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
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