SCHEMBL32679398

SCHEMBL32679398

COc1ccc(C(=O)N(N)C(=O)n2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.48
PIK3CG P48736 1/20 0.48
EGFR P00533 4/20 0.46
RIPK2 O43353 1/20 0.46
EPHB2 P29323 1/20 0.46
TTBK1 Q5TCY1 4/20 0.45
TTBK2 Q6IQ55 4/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 3/20 0.44
KDR P35968 1/20 0.43
TEK Q02763 1/20 0.43
ERBB2 P04626 3/20 0.43
ERBB4 Q15303 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL32679384 0.93 MAPT (0.52) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679402 0.85 TTBK1 (0.47) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679397 0.85 TTBK1 (0.44) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679403 0.84 TTBK1 (0.44) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679373 0.84 TTBK1 (0.45) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679394 0.83 EGFR (0.52) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679393 0.83 EGFR (0.52) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679381 0.82 TTBK1 (0.44) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679395 0.82 TTBK1 (0.45) PIP4K2APIK3CGEGFRRIPK2EPHB2
SCHEMBL32679372 0.81 MAPT (0.43) PIP4K2APIK3CGEGFRRIPK2EPHB2

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
CN-120424083-B Pyrrolo pyrimidine compound and preparation method and application thereof 江西省肿瘤医院(江西省第二人民医院、江西省癌症中心) 2026-02-27 CN disclosed