SCHEMBL2356754

SCHEMBL2356754

CSc1ncc(-c2cnc3ccc(NC4CCC(NC(=O)OC(C)(C)C)CC4)nn23)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.49
FYN P06241 4/20 0.47
MKNK1 Q9BUB5 2/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KCNH2 Q12809 4/20 0.45

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
SCHEMBL12351021 1.00 PIM1 (0.49) PIM1FYNMKNK1PIM3PIM2
SCHEMBL12350723 0.89 PIM1 (0.51) PIM1FYNMKNK1PIM3PIM2
SCHEMBL12351049 0.86 PIM1 (0.50) PIM1FYNMKNK1PIM3PIM2
SCHEMBL2237814 0.86 PIM1 (0.47) PIM1FYNMKNK1KCNH2
SCHEMBL12351067 0.86 PIM1 (0.53) PIM1FYNMKNK1KCNH2
SCHEMBL2358340 0.86 PIM1 (0.53) PIM1FYNMKNK1KCNH2
SCHEMBL12350791 0.84 PIM1 (0.49) PIM1FYNPIM3PIM2
SCHEMBL12351050 0.84 PIM1 (0.46) PIM1FYNMKNK1PIM3PIM2
SCHEMBL12351087 0.84 PIM1 (0.46) PIM1MKNK1PIM3PIM2KCNH2
SCHEMBL2355941 0.84 PIM1 (0.46) PIM1MKNK1PIM3PIM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350085-A1 QUINAZOLINONE LINKED PYRROLOÝ2,1 -C¨Ý1.4¨BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FORTHE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2011-08-03 EP claimed
WO-2010058416-A1 QUINAZOLINONE LINKED PYRROLO[2,1 -C][1.4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FORTHE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-27 WO claimed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed