SCHEMBL2826523

SCHEMBL2826523

CCn1nc(C(=O)O)c(Cc2cccc(C(F)(F)F)c2)c(Nc2cccnc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KIF11 P52732 1/20 0.43
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
LRRK2 Q5S007 1/20 0.40
KDR P35968 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
CHEK1 O14757 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39

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
SCHEMBL2826438 0.87 GPR52 (0.39) MAPTGPR52CHEK1DAPK3ROCK2
SCHEMBL2829407 0.82 FPR2 (0.40) LRRK2MEN1KMT2ASORT1SMN1; SMN2
SCHEMBL2829411 0.82 TRPV1 (0.43) MAPTKMT2ASMN1; SMN2
SCHEMBL2828691 0.81 PDE4B (0.42) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2829191 0.79 PDE4B (0.39) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2829404 0.78 PDE4B (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL2000162 0.77 MAPT (0.44) MAPTKIF11UBE2MDCUN1D1LRRK2
SCHEMBL2828832 0.74 PDE4B (0.43) MEN1KMT2ASMN1; SMN2
SCHEMBL2828120 0.73 KDM4C (0.38) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL2829015 0.73 ALDH1A1 (0.46) MAPTMEN1KMT2AROCK2

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