SCHEMBL4668115

SCHEMBL4668115

O=C(C=Cc1n[nH]c2ncccc12)NCc1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.38
P2RX7 Q99572 2/20 0.38
ROCK2 O75116 2/20 0.37
POLB P06746 2/20 0.37
GSK3B P49841 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
KDR P35968 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL4668112 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LMNAMAPK1P2RX7ROCK2
SCHEMBL4666545 0.89 LMNA (0.46) LMNAMAPK1P2RX7POLBGSK3B
SCHEMBL4666544 0.89 LMNA (0.46) LMNAMAPK1P2RX7POLBGSK3B
SCHEMBL4668121 0.85 NAMPT (0.50) LMNAGSK3BHDAC6HPGDNAMPT
SCHEMBL4668119 0.85 NAMPT (0.50) LMNAGSK3BHDAC6HPGDNAMPT
SCHEMBL4667873 0.85 KDR (0.49) LMNAMAPK1ROCK2GSK3BHDAC6
SCHEMBL4668009 0.85 PDPK1 (0.44) P2RX7GSK3BHDAC6NAMPTALDH1A1
SCHEMBL4667875 0.85 KDR (0.49) LMNAMAPK1ROCK2GSK3BHDAC6
SCHEMBL4668012 0.85 PDPK1 (0.44) P2RX7GSK3BHDAC6NAMPTALDH1A1
SCHEMBL4669118 0.84 MMP1 (0.53) SMN1; SMN2LMNAPOLBGSK3BHTT

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