SCHEMBL4668013

SCHEMBL4668013

NC[C@H](Cc1cccs1)NC(=O)/C=C/c1n[nH]c2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
AURKA O14965 3/20 0.36
AURKB Q96GD4 3/20 0.36
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 1/20 0.34
STAT3 P40763 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL4668015 1.00 TAS1R3 (0.37) TAS1R3TAS1R1AURKAAURKBRAB9A
SCHEMBL4668041 0.84 GSK3B (0.43) AURKAAURKBPOLBCYP2C19ALDH1A1
SCHEMBL4668044 0.84 GSK3B (0.43) AURKAAURKBPOLBCYP2C19ALDH1A1
SCHEMBL4669110 0.82 HDAC1 (0.37) AURKAAURKBALDH1A1
SCHEMBL4669105 0.82 HDAC1 (0.37) AURKAAURKBALDH1A1
SCHEMBL4666598 0.80 ITGB2 (0.45)
SCHEMBL4666588 0.80 ITGB2 (0.45)
SCHEMBL4667795 0.80 PTPN2 (0.37)
SCHEMBL4667789 0.80 PTPN2 (0.37)
SCHEMBL4665975 0.79 GSK3B (0.42) TAS1R3TAS1R1AURKAAURKBSMN1; SMN2

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 6 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-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
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