SCHEMBL2826438

SCHEMBL2826438

CCn1nc(C(=O)O)c(Cc2cccc(C(F)(F)F)c2)c(Nc2cnccc2C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.39
DDR1 Q08345 1/20 0.37
DDR2 Q16832 1/20 0.37
MAPT P10636 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
P2RY14 Q15391 1/20 0.37
POLB P06746 1/20 0.36
PTGER1 P34995 1/20 0.36
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36

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
SCHEMBL2828120 0.88 KDM4C (0.38) MAPTKDM4C
SCHEMBL2829015 0.87 ALDH1A1 (0.46) MAPTROCK2
SCHEMBL2826523 0.87 MAPT (0.45) GPR52DDR1DDR2MAPTCHEK1
SCHEMBL2829411 0.85 TRPV1 (0.43) MAPTTRPV1PTGER4
SCHEMBL2828114 0.85 ROCK2 (0.39) GRIN1GRIN2BPOLBROCK2KDM4C
SCHEMBL1997196 0.84 PDE4B (0.34) MAPTPOLBKDM5AKDM4CKDM5B
SCHEMBL2829346 0.82 KDM4C (0.36) KDM4C
SCHEMBL2829340 0.81 KDM4C (0.41) KDM5AKDM4C
SCHEMBL2828108 0.80 KDM4C (0.41) KDM4C
SCHEMBL1999844 0.80 MMP1 (0.41) DDR1DDR2MAPTTRPV1P2RY14

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-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed