SCHEMBL31630574

SCHEMBL31630574

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.49
KDR P35968 2/20 0.49
PIK3CD O00329 1/20 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
PTK6 Q13882 6/20 0.48
SRC P12931 4/20 0.47
FYN P06241 2/20 0.47
ACVRL1 P37023 6/20 0.44
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
TNK2 Q07912 2/20 0.38
MAP4K4 O95819 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
SCHEMBL31630453 0.88 ABL1 (0.49) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630448 0.86 ABL1 (0.60) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630446 0.86 PTK6 (0.63) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL90877 0.84 ABL1 (0.46) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630404 0.83 ABL1 (0.45) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630568 0.83 ABL1 (0.51) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL65771 0.83 ACVRL1 (0.58) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630137 0.82 ABL1 (0.47) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630186 0.81 ABL1 (0.52) ABL1KDRPIK3CDEGFRPIK3CA
SCHEMBL31630426 0.81 PIK3CD (0.51) ABL1KDRPIK3CDEGFRPIK3CA

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