SCHEMBL7199487

SCHEMBL7199487

O=C(c1ccc(C(=O)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 1/20 0.69
CDK6 Q00534 1/20 0.69
PDE10A Q9Y233 13/20 0.60
AURKA O14965 1/20 0.58
JAK2 O60674 1/20 0.58
ABL1 P00519 1/20 0.58
NTRK1 P04629 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58
CSF1R P07333 1/20 0.58
RET P07949 1/20 0.58
IGF1R P08069 1/20 0.58
MET P08581 1/20 0.58
PDGFRB P09619 1/20 0.58
PIM1 P11309 1/20 0.58
FGFR1 P11362 1/20 0.58
PRKACA P17612 1/20 0.58
KDR P35968 1/20 0.58
MAP2K2 P36507 1/20 0.58
CDK8 P49336 1/20 0.58

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
SCHEMBL3966827 0.95 CCND3 (0.67) CCND3CDK6PDE10AAURKAJAK2
SCHEMBL1303899 0.93 CCND3 (0.61) CCND3CDK6PDE10AAURKAJAK2
SCHEMBL13042221 0.92 MAPT (0.60) CCND3CDK6PDE10ANPC1RAB9A
SCHEMBL250171 0.90 CCND3 (0.70) CCND3CDK6AURKAJAK2ABL1
SCHEMBL9373255 0.90 CCND3 (0.61) CCND3CDK6PDE10AAURKAJAK2
Hydrochloric Acid SCHEMBL7000982 0.89 CCND3 (0.68) CCND3CDK6AURKAJAK2ABL1
SCHEMBL8350123 0.89 CCND3 (0.60) CCND3CDK6PDE10AAURKAJAK2
SCHEMBL21759876 0.88 CCND3 (0.56) CCND3CDK6PDE10ANPC1RAB9A
SCHEMBL10428595 0.84 PDE10A (0.53) CCND3CDK6PDE10ANPC1RAB9A
SCHEMBL3417204 0.82 CCND3 (0.60) CCND3CDK6AURKAJAK2ABL1

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
US-6593476-B2 Using 2-arylbenzimidazolesulfonic acid MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2003-07-15 US disclosed