SCHEMBL4131950

SCHEMBL4131950

Cn1nc(C(C)(C)C)c2nc(N(CCCN3CCOCC3)Cc3ccc(F)cc3)[nH]c(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.37
PDE9A O76083 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 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
SCHEMBL4143162 0.95 GAA (0.42) GAAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3996853 0.88 GAA (0.42) GAAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4125332 0.86 PDE5A (0.46) GAAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4117316 0.82 MAPK13 (0.43) GAAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4132815 0.82 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2LMNATP53
SCHEMBL4123024 0.80 ALDH1A1 (0.36) GAAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4893657 0.80 KDM4E (0.43) GAAALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL4117755 0.78 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL8048797 0.77 PDE9A (0.38) GAAALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL4142307 0.77 PDE5A (0.47) GAAALDH1A1KDM4EHPGDHSD17B10

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
WO-2009071706-A1 PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed