SCHEMBL7434003

SCHEMBL7434003

CCCC1=C(C(=O)O)C(c2ccccc2SC)c2c[nH]nc2N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NR3C2 P08235 1/20 0.31
GRK6 P43250 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL6293692 0.89 NR3C2 (0.42) CACNA1DADORA3SMN1; SMN2ALDH1A1NR3C2
SCHEMBL7441431 0.85 PYGL (0.39) CACNA1DADORA3HPGDSMN1; SMN2ALDH1A1
SCHEMBL7433747 0.84 ALDH1A1 (0.37) ADORA3SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7435806 0.83 MEN1 (0.39) CACNA1DHPGDALDH1A1ATMNR3C2
SCHEMBL7020208 0.82 KDM4E (0.39) HPGDALDH1A1
SCHEMBL6297483 0.81 CACNA1C (0.34)
SCHEMBL7429502 0.81 CYP2C9 (0.42) CACNA1DADORA3HPGDALDH1A1L3MBTL1
SCHEMBL6297233 0.81 ALDH1A1 (0.36) HPGDSMN1; SMN2ALDH1A1NR3C2MEN1
SCHEMBL7017886 0.81 CACNA1D (0.31) CACNA1D
SCHEMBL7018953 0.79 GAA (0.41) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002062795-A9 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2002-10-10 WO disclosed