SCHEMBL27540799

SCHEMBL27540799

Cc1n[nH]c(-c2ccccc2)c1-c1ccnc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
AKT2 P31751 1/20 0.43
KMO O15229 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
FTO Q9C0B1 2/20 0.41
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM6B O15054 1/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
BBOX1 O75936 1/20 0.41
MAPT P10636 1/20 0.41
KDM5C P41229 1/20 0.41
ASPH Q12797 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
KDM7A Q6ZMT4 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
SCHEMBL5258336 0.91 CHEK1 (0.42) CHEK1AKT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5255455 0.90 FYN (0.45) CHEK1AKT2KDM4EALDH1A1MAPK1
SCHEMBL27544001 0.87 CHEK1 (0.39) CHEK1AKT2KDM4EALDH1A1MAPT
SCHEMBL5257418 0.87 NPC1 (0.44) CHEK1AKT2KDM4EALDH1A1MAPT
SCHEMBL5260432 0.83 CHEK1 (0.47) CHEK1AKT2KDM4EALDH1A1MAPK1
SCHEMBL27540780 0.82 CHEK1 (0.39) CHEK1AKT2KDM4EALDH1A1SMN1; SMN2
SCHEMBL27540778 0.81 CHEK1 (0.38) CHEK1AKT2KDM4EALDH1A1MAPT
SCHEMBL5255250 0.79 CDC7 (0.47) KMOFYN
SCHEMBL5259330 0.78 MAT2A (0.44) CHEK1AKT2MAPK1NPSR1
SCHEMBL27540538 0.78 ADORA2A (0.45) CHEK1AKT2KDM4EALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 CN disclosed
CN-1264377-A Substituted pyrazoles as P38 kinase inhabitors SEARLE & CO (US) 2000-08-23 CN disclosed