SCHEMBL20181949

SCHEMBL20181949

O=C(c1n[nH]c2ccccc12)N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.69
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
AHR P35869 3/20 0.60
MAPK10 P53779 1/20 0.59
RBP4 P02753 1/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
JAK2 O60674 1/20 0.51

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
SCHEMBL29806029 1.00 FLT3 (0.69) FLT3ALDH1A1MAPTAHRMAPK10
SCHEMBL21855639 0.87 FLT3 (0.65) FLT3ALDH1A1MAPTAHRMAPK10
SCHEMBL6114106 0.85 FLT3 (0.67) FLT3ALDH1A1MAPTAHRMAPK10
SCHEMBL28477124 0.84 ALDH1A1 (0.60) FLT3ALDH1A1MAPTAHRRBP4
SCHEMBL13779981 0.83 FLT3 (0.69) FLT3ALDH1A1MAPTAHRMAPK10
SCHEMBL26715294 0.83 ALDH1A1 (0.59) FLT3ALDH1A1MAPTAHRRBP4
SCHEMBL30861056 0.81 JAK2 (0.53) FLT3ALDH1A1MAPTAHRRBP4
SCHEMBL11970954 0.81 HSP90AA1 (0.50) FLT3ALDH1A1MAPTRBP4KMT2A
SCHEMBL27228504 0.81 JAK2 (0.53) FLT3ALDH1A1MAPTAHRRBP4
SCHEMBL23244263 0.80 ALDH1A1 (0.77) FLT3ALDH1A1MAPTRBP4LMNA

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-3541817-B1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL MYERS SQUIBB CO (US) 2020-12-23 EP disclosed
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed