SCHEMBL31630426

SCHEMBL31630426

COc1cc(-c2cc(-c3cncnc3)n3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.51
ABL1 P00519 7/20 0.51
EGFR P00533 1/20 0.51
KDR P35968 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CG P48736 1/20 0.51
BACE1 P56817 1/20 0.51
PRKDC P78527 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
SRC P12931 3/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2A1 P68400 2/20 0.46
PTK6 Q13882 5/20 0.45
FYN P06241 1/20 0.44
EGLN2 Q96KS0 1/20 0.41
ACVRL1 P37023 1/20 0.41
RIPK1 Q13546 2/20 0.40

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
SCHEMBL31630422 0.92 PIK3CD (0.51) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630201 0.92 PIK3CD (0.49) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630459 0.91 CSNK2A2 (0.55) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630526 0.91 PIK3CD (0.51) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630579 0.90 ABL1 (0.50) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630536 0.89 PIK3CD (0.52) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630744 0.89 PIK3CD (0.49) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630257 0.88 PIK3CD (0.48) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630566 0.87 ABL1 (0.51) PIK3CDABL1EGFRKDRPIK3CA
SCHEMBL31630411 0.86 PIK3CD (0.50) PIK3CDABL1EGFRKDRPIK3CA

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-2025124429-A1 AROMATIC AMINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京康辰药业股份有限公司 2025-06-19 WO claimed