SCHEMBL4668559

SCHEMBL4668559

c1ccc(C2=NN(c3ccc(Oc4ncncc4-c4ccncc4)cc3)Cc3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
PDE10A Q9Y233 5/20 0.36
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
SCN9A Q15858 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR2 Q13324 1/20 0.32

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 0.86 USP2 (0.31) BTKCYP1A2CYP2C19NPC1RAB9A
SCHEMBL4667120 0.77 AXL (0.33) BTKPDE10A
SCHEMBL4794734 0.75 FEN1 (0.35) PDE10ANPC1MAPTRAB9A
SCHEMBL4668256 0.75 AURKA (0.38) PDE10AALDH1A1MAPT
SCHEMBL4428347 0.68 MEN1 (0.46) MEN1KMT2AL3MBTL1NPC1MAPT
SCHEMBL4782599 0.65 AURKA (0.44) PDE10AALDH1A1
SCHEMBL1834038 0.64 NPC1 (0.31) MEN1KMT2ANPC1RAB9A
SCHEMBL31272745 0.64 PDE10A (0.58) PDE10AMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL581019 0.63 AURKA (0.58) MAPT
SCHEMBL4668281 0.63 USP2 (0.31) CYP1A2CYP2C19

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