SCHEMBL4668281

SCHEMBL4668281

NC1c2ccccc2C(c2ccccc2)=NN1c1ccc(Oc2ncncc2I)cc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4668530 0.76 USP2 (0.31) USP2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4668540 0.72 FEN1 (0.33)
SCHEMBL4441986 0.71 MEN1 (0.45)
SCHEMBL4668233 0.71 AURKA (0.37)
SCHEMBL4668332 0.70 AURKB (0.36) CYP1A2CYP3A4CYP2C19
SCHEMBL4667173 0.65 AURKB (0.46)
SCHEMBL4668559 0.63 BTK (0.36) CYP1A2CYP2C19
SCHEMBL20406329 0.62 CYP2C9 (0.43) CYP1A2CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL20406283 0.59 KDM4E (0.49)
SCHEMBL20406228 0.59 EGFR (0.42)

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-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed