SCHEMBL31630558

SCHEMBL31630558

COc1cc(-c2cc(C3(O)COC3)n3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.49
PIK3CD O00329 5/20 0.49
KDR P35968 2/20 0.49
EGFR P00533 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
BACE1 P56817 1/20 0.49
PRKDC P78527 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
SRC P12931 3/20 0.47
PTK6 Q13882 5/20 0.45
FYN P06241 1/20 0.44
ACVRL1 P37023 2/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 2/20 0.40
TNK2 Q07912 1/20 0.38
CSF1R P07333 1/20 0.37
MAP4K4 O95819 1/20 0.37
RIPK1 Q13546 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL31630230 0.94 ABL1 (0.47) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630143 0.90 ABL1 (0.52) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630417 0.88 PIK3CD (0.48) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630186 0.83 ABL1 (0.52) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL65771 0.83 ACVRL1 (0.58) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630411 0.81 PIK3CD (0.50) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630459 0.81 CSNK2A2 (0.55) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630426 0.81 PIK3CD (0.51) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630744 0.80 PIK3CD (0.49) ABL1PIK3CDKDREGFRPIK3CA
SCHEMBL31630536 0.80 PIK3CD (0.52) ABL1PIK3CDKDREGFRPIK3CA

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