SCHEMBL30866643

SCHEMBL30866643

Nc1cccc(-n2ccc3cccnc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.54
CDK2 P24941 1/20 0.54
MAPT P10636 4/20 0.43
PARP1 P09874 1/20 0.43
PIP4K2A P48426 1/20 0.42
PIK3CG P48736 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CASP1 P29466 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP4K4 O95819 1/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL27144742 1.00 CDC7 (0.54) CDC7CDK2MAPTPARP1PIP4K2A
SCHEMBL2294384 0.89 CDC7 (0.53) CDC7CDK2MAPTPARP1KDM4E
SCHEMBL20603929 0.82 CDC7 (0.58) CDC7CDK2MAPTPARP1ALDH1A1
SCHEMBL2295440 0.81 CDC7 (0.56) CDC7CDK2PARP1KDM4EMKNK2
SCHEMBL28545337 0.81 HPGD (0.52) CDC7CDK2MAPTPARP1ALDH1A1
SCHEMBL28650970 0.81 CDC7 (0.47) CDC7CDK2PARP1ALDH1A1ATM
SCHEMBL31070284 0.81 HPGD (0.52) CDC7CDK2MAPTPARP1ALDH1A1
SCHEMBL1150333 0.80 CDC7 (0.54) CDC7CDK2PARP1ALDH1A1KDM4E
SCHEMBL30828406 0.80 CDC7 (0.54) CDC7CDK2PARP1ALDH1A1KDM4E
SCHEMBL23413110 0.79 MKNK2 (0.58) MAPTPIP4K2APIK3CGMKNK2

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
CN-112424201-B Protein kinase inhibitors that promote liver regeneration or reduce or prevent hepatocyte death 海帕瑞吉尼克斯股份有限公司 2024-04-02 CN disclosed