SCHEMBL4667799

SCHEMBL4667799

NC(=O)/C(=C/c1n[nH]c2ncccc12)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NEK2 P51955 2/20 0.37
PLK1 P53350 1/20 0.35
PIN1 Q13526 1/20 0.35
RPS6KB1 P23443 1/20 0.35
KDR P35968 3/20 0.34
MET P08581 1/20 0.34
F2 P00734 1/20 0.34
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
LCK P06239 1/20 0.34
FGFR1 P11362 1/20 0.34
ALDH1A1 P00352 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL4667806 1.00 CAMKK2 (0.37) CAMKK2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4667762 0.86 CTSL (0.40) KMT2ACYP1A2CYP3A4CYP2D6NEK2
SCHEMBL4667766 0.86 CTSL (0.40) KMT2ACYP1A2CYP3A4CYP2D6NEK2
SCHEMBL4667606 0.83 TLR7 (0.44) KMT2ACYP1A2CYP3A4CYP2C9RPS6KB1
SCHEMBL4667611 0.83 TLR7 (0.44) KMT2ACYP1A2CYP3A4CYP2C9RPS6KB1
SCHEMBL5257623 0.77 KMT2A (0.54) CAMKK2KMT2ANEK2PLK1MET
SCHEMBL5258592 0.77 KMT2A (0.54) CAMKK2KMT2ANEK2PLK1MET
SCHEMBL5257618 0.77 KMT2A (0.54) CAMKK2KMT2ANEK2PLK1MET
SCHEMBL10126734 0.75 KMT2A (0.40) CAMKK2KMT2AKDRMETLCK
SCHEMBL4667699 0.74 CAMKK2 (0.38) CAMKK2KMT2ANEK2PLK1RPS6KB1

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