SCHEMBL4666548

SCHEMBL4666548

O=C(/C=C/c1n[nH]c2ncccc12)NCc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.47
RPS6KB1 P23443 1/20 0.47
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
GRM4 Q14833 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
P2RX7 Q99572 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
PLAU P00749 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GSK3B P49841 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4666551 1.00 NPSR1 (0.51) NPSR1GAANPC1RPS6KB1LMNA
SCHEMBL4667782 0.88 SMN1; SMN2 (0.52) NPSR1GAALMNAPOLBHTT
SCHEMBL4667777 0.88 SMN1; SMN2 (0.52) NPSR1GAALMNAPOLBHTT
SCHEMBL4666002 0.87 LMNA (0.48) NPSR1RPS6KB1LMNAMAPK1P2RX7
SCHEMBL4667873 0.87 KDR (0.49) RPS6KB1LMNAMAPK1GSK3B
SCHEMBL4667875 0.87 KDR (0.49) RPS6KB1LMNAMAPK1GSK3B
SCHEMBL4665994 0.87 LMNA (0.48) NPSR1RPS6KB1LMNAMAPK1P2RX7
SCHEMBL4669121 0.87 MMP1 (0.53) LMNAPOLBHTTALDH1A1MAPT
SCHEMBL4669118 0.87 MMP1 (0.53) LMNAPOLBHTTALDH1A1MAPT
SCHEMBL4668009 0.85 PDPK1 (0.44) NPSR1RPS6KB1P2RX7ALDH1A1GSK3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1980561-B1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP claimed
EP-1980561-A1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-10-15 EP claimed
EP-1980561-B1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-09 EP disclosed
EP-1980561-A1 Substituted 1h-pyrazolo[3,4-b] pyridine derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-10-15 EP disclosed