SCHEMBL7831493

SCHEMBL7831493

Cc1cc(NCc2ccncc2)n2nc(C(C)(C)C)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.54
BRD4 O60885 1/20 0.46
LMNA P02545 2/20 0.46
AURKA O14965 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
LTK P29376 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK8 P49336 1/20 0.44
CLK2 P49760 1/20 0.44
CDK5 Q00535 1/20 0.44
ACVR1 Q04771 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 4/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 3/20 0.43

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
SCHEMBL30457108 0.89 BRD4 (0.48) CDK2BRD4LMNATP53MAPT
SCHEMBL7833669 0.86 GSK3B (0.57) CDK2TP53MAPTKDM4EALDH1A1
SCHEMBL7830106 0.80 PDE2A (0.48) BRD4LMNAAURKACSF1RRET
SCHEMBL7819220 0.80 KDM4E (0.58) AURKACSF1RRETLTKCSNK1A1
SCHEMBL7831632 0.80 BRD4 (0.42) CDK2BRD4LMNAAURKACSF1R
SCHEMBL7830853 0.77 F2 (0.48) LMNAAURKACSF1RRETLTK
SCHEMBL7819484 0.76 TP53 (0.59) LMNAAURKACSF1RRETLTK
SCHEMBL7831500 0.75 TUBB4A (0.48) LMNAAURKACSF1RRETLTK
SCHEMBL7827676 0.74 ALDH1A1 (0.47) LMNAAURKACSF1RRETLTK
SCHEMBL7827833 0.74 KDM4E (0.56) LMNATP53MAPTKDM4EALDH1A1

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
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP claimed
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 EP disclosed