SCHEMBL1667882

SCHEMBL1667882

Cc1ccn(C)c1-c1c(/C(N)=N/O)c2cccnc2n1-c1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.33
PIM1 P11309 4/20 0.33
CHEK1 O14757 3/20 0.33
CDK2 P24941 3/20 0.33
CSNK2A1 P68400 3/20 0.33
USP14 P54578 1/20 0.33
REN P00797 3/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
ALDH1A1 P00352 1/20 0.30
FEN1 P39748 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
SCHEMBL1667883 1.00 NTRK1 (0.33) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1668166 0.85 USP14 (0.33) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1668164 0.85 USP14 (0.33) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1667884 0.82 USP14 (0.33) USP14RENESR1ESR2PDE4A
SCHEMBL1667744 0.80 USP14 (0.33) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1667743 0.80 USP14 (0.33) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1667776 0.78 NTRK1 (0.37) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1667774 0.78 NTRK1 (0.37) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1667699 0.78 BRD4 (0.36) NTRK1PIM1CHEK1CDK2CSNK2A1
SCHEMBL1667700 0.78 BRD4 (0.36) NTRK1PIM1CHEK1CDK2CSNK2A1

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-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed