SCHEMBL16622983

SCHEMBL16622983

Brc1ccc(OCCNC2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
DRD4 P21917 2/20 0.50
FOXM1 Q08050 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
HPGD P15428 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45

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
SCHEMBL2467576 0.82 KDM4E (0.79) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12642573 0.82 KDM4E (0.61) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2466960 0.82 KDM4E (0.87) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL1547735 0.79 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29045801 0.79 FOXM1 (0.79) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL6873792 0.77 KDM4E (0.43) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12156360 0.76 KDM4E (0.67) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL25260429 0.76 POLB (0.42) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL13980799 0.76 KDM4E (0.68) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL8218962 0.75 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1

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-2857404-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
EP-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP disclosed