SCHEMBL30289883

SCHEMBL30289883

O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2cc(N3CCOCC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.55
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PARP14 Q460N5 2/20 0.51
PRKDC P78527 4/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
FGFR1 P11362 3/20 0.41
FLT1 P17948 3/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
APAF1 O14727 1/20 0.40
CDC25B P30305 1/20 0.40
CASP3 P42574 1/20 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
SCHEMBL30289868 0.79 MAPT (0.52) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30289949 0.76 MAPT (0.52) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30289873 0.74 KDM4E (0.71) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30289790 0.73 MAPT (0.46) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30289858 0.72 MAPT (0.49) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL30289838 0.72 RIPK1 (0.49) MEN1KMT2AKDM4EMAPTCYP3A4
SCHEMBL4382248 0.72 TTBK1 (0.56) STAT3PIK3CAMEN1KMT2AMAPT
SCHEMBL30289989 0.70 MEN1 (0.45) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL2924524 0.70 PIK3CA (0.49) STAT3PIK3CDPIK3CAPIK3CBPDE3B
SCHEMBL23712415 0.69 MAPK10 (0.50) MAPTMAPK1

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-2023054759-A1 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME 한국화학연구원 2023-04-06 WO disclosed