SCHEMBL4665994

SCHEMBL4665994

O=C(/C=C/c1n[nH]c2ncccc12)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.43
P2RX7 Q99572 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CLK1 P49759 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
PYGL P06737 1/20 0.40
GSK3B P49841 1/20 0.40
WDR5 P61964 1/20 0.40

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
SCHEMBL4666002 1.00 LMNA (0.48) LMNAALDH1A1P2RX7TRPV1AURKA
SCHEMBL4667782 0.88 SMN1; SMN2 (0.52) LMNATSHRNPSR1HTTKMT2A
SCHEMBL4667777 0.88 SMN1; SMN2 (0.52) LMNATSHRNPSR1HTTKMT2A
SCHEMBL4666551 0.87 NPSR1 (0.51) LMNAALDH1A1P2RX7RPS6KB1MAPT
SCHEMBL4666548 0.87 NPSR1 (0.51) LMNAALDH1A1P2RX7RPS6KB1MAPT
SCHEMBL4668009 0.85 PDPK1 (0.44) ALDH1A1P2RX7AURKARPS6KB1NPSR1
SCHEMBL4668012 0.85 PDPK1 (0.44) ALDH1A1P2RX7AURKARPS6KB1NPSR1
SCHEMBL4665993 0.85 MEN1 (0.49) LMNAALDH1A1P2RX7MAPTHTT
SCHEMBL4666003 0.85 MEN1 (0.49) LMNAALDH1A1P2RX7MAPTHTT
SCHEMBL4669118 0.84 MMP1 (0.53) LMNAALDH1A1KDM4EMAPTHTT

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