SCHEMBL30320566

SCHEMBL30320566

Nc1ncnc2c1c(-c1ccc([N+](=O)[O-])cc1)nn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 16/20 0.58
▸ KDR P35968 15/20 0.58
▸ PIK3CD O00329 14/20 0.58
▸ PIK3CA P42336 14/20 0.58
▸ PIK3CB P42338 14/20 0.58
▸ PIK3CG P48736 14/20 0.58
▸ PRKDC P78527 14/20 0.58
▸ ABL1 P00519 13/20 0.58
▸ EGFR P00533 13/20 0.58
▸ HCK P08631 13/20 0.58
▸ MTOR P42345 13/20 0.58
▸ EPHB4 P54760 13/20 0.58
▸ PI4KB Q9UBF8 7/20 0.58
▸ BTK Q06187 4/20 0.57
▸ LCK P06239 4/20 0.57
▸ LYN P07948 1/20 0.57
▸ NUDT14 O95848 1/20 0.53
▸ NUDT5 Q9UKK9 1/20 0.53
▸ TEK Q02763 3/20 0.53

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
SCHEMBL24096494 1.00 SRC (0.58) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL1317762 0.95 PIK3CD (0.65) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL30320584 0.95 PIK3CD (0.62) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL24096513 0.95 PIK3CD (0.62) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL24096737 0.92 PIK3CD (0.55) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL24096491 0.90 PIK3CD (0.52) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL1321276 0.88 KDR (0.63) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL1320199 0.88 KDR (0.63) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL1320201 0.88 KDR (0.63) SRCKDRPIK3CDPIK3CAPIK3CB
SCHEMBL23997146 0.84 BTK (0.65) SRCKDRPIK3CDPIK3CAPIK3CB

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
Send feedback