SCHEMBL4665993

SCHEMBL4665993

O=C(/C=C/c1n[nH]c2ncccc12)NCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.46
MAPK8 P45983 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
P2RX7 Q99572 1/20 0.42
MAPK3 P27361 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
SCHEMBL4666003 1.00 MEN1 (0.49) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4666545 0.87 LMNA (0.46) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL4666544 0.87 LMNA (0.46) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL4669121 0.86 MMP1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4669118 0.86 MMP1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4667777 0.85 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4667782 0.85 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4665994 0.85 LMNA (0.48) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL4666002 0.85 LMNA (0.48) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL4667849 0.84 ALDH1A1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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