SCHEMBL7108109

SCHEMBL7108109

O=C(O)c1cccc(Nc2nc(Cl)nc3[nH]cnc23)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.55
RHOA P61586 1/20 0.48
CSNK2A2 P19784 4/20 0.47
CSNK2B P67870 4/20 0.47
CSNK2A1 P68400 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
EGFR P00533 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
AKR1C3 P42330 1/20 0.44
AURKA O14965 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
SCHEMBL6578900 0.87 MAPK1 (0.51) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7110570 0.85 POLB (0.55) TOP2ACSNK2A2CSNK2A1NPC1EGFR
SCHEMBL4898607 0.84 BRAF (0.61) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2995190 0.83 BRAF (0.52) CSNK2A1EGFR
SCHEMBL3001568 0.82 BRAF (0.53) MEN1KMT2AEGFR
SCHEMBL3001378 0.82 NFKB1 (0.46) MEN1KMT2AEGFR
SCHEMBL26434474 0.81 TOP2A (0.68) TOP2ARHOACSNK2A2CSNK2BCSNK2A1
SCHEMBL21473892 0.81 BRAF (0.46) MEN1KMT2AKDM4EGAA
SCHEMBL2995233 0.80 BRAF (0.51) CSNK2A1EGFR
SCHEMBL4899889 0.79 EGFR (0.52) NPC1RAB9AMEN1KMT2AEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO disclosed