SCHEMBL11238862

SCHEMBL11238862

Cn1ccc(=NN)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
KDM6A O15550 1/20 0.31
KDM4A O75164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5C P41229 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
DOHH Q9BU89 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL2211531 0.79 CRBN (0.38) CRBNKDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL100263 0.70 CRBN (0.44) CRBNKDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL10569040 0.70 MAPK1 (0.44) CRBNKDM4ECYP2C9CYP2C19
SCHEMBL10569045 0.70 MAPK1 (0.44) CRBNKDM4ECYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7524493 0.69 CRBN (0.43) CRBNKDM4EPIK3CDPIK3CAPIK3CB
Water SCHEMBL6505685 0.69 CRBN (0.43) CRBNKDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL15280674 0.67 KDM4E (0.41) CRBNKDM4EPIK3CDPIK3CAPIK3CB
SCHEMBL2272045 0.62
SCHEMBL7267469 0.62 CRBN (0.37) CRBNKDM4EKDM6AKDM4ACYP2C9
SCHEMBL14369885 0.62

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
EP-0000383-B1 PYRIMIDO (4,5-C) PYRIDAZINES, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESS FOR THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1982-10-13 EP disclosed