SCHEMBL4668530

SCHEMBL4668530

Ic1cncnc1Oc1ccc(N2Cc3ccccc3C(c3ccccc3)=N2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

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
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
BTK Q06187 1/20 0.30

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
SCHEMBL4668559 0.86 BTK (0.36) CYP1A2CYP2C19NPC1RAB9ABTK
SCHEMBL4668281 0.76 USP2 (0.31) USP2CYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL4794734 0.71 FEN1 (0.35) NPC1RAB9A
SCHEMBL4668256 0.71 AURKA (0.38)
SCHEMBL4667120 0.71 AXL (0.33) BTK
SCHEMBL4428347 0.69 MEN1 (0.46) USP2NPC1PKMRAB9A
SCHEMBL1834038 0.64 NPC1 (0.31) NPC1RAB9A
SCHEMBL20406329 0.64 CYP2C9 (0.43) CYP1A2CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL20406228 0.61 EGFR (0.42)
SCHEMBL20406284 0.61 TRPA1 (0.31)

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