SCHEMBL9953378

SCHEMBL9953378

O=C(O)Nc1cnccc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GSK3B P49841 3/20 0.49
ATR Q13535 3/20 0.48
KDM4C Q9H3R0 7/20 0.47
PIM1 P11309 5/20 0.42
PIM3 Q86V86 5/20 0.42
PIM2 Q9P1W9 5/20 0.42
IDO1 P14902 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
SCHEMBL18284528 0.82 PIM1 (0.48) MAPTGSK3BPIM1PIM3PIM2
SCHEMBL9911853 0.81 MAPT (0.46) MAPTGSK3BATRKDM4CPIM1
SCHEMBL16515562 0.80 PIM1 (0.45) MAPTGSK3BKDM4CPIM1PIM3
SCHEMBL1711507 0.79 PIM2 (0.58) GSK3BPIM1PIM3PIM2
SCHEMBL15770659 0.79 ATR (0.58) MAPTGSK3BATRKDM4CPIM1
SCHEMBL9953027 0.78 GPR119 (0.43) MAPTGSK3BATRKDM4C
SCHEMBL2695221 0.78 PIM2 (0.43) GSK3BPIM1PIM3PIM2
SCHEMBL13737663 0.77 MAPT (0.42) MAPTGSK3BATRKDM4CPIM1
SCHEMBL15818020 0.75 AOC1 (0.46) MAPTGSK3BATRKDM4CIDO1
SCHEMBL30053721 0.75 KDM4C (0.48) MAPTKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106986862-A Hepatitis c inhibitor and application thereof ABBVIE 公司 2017-07-28 CN disclosed
CN-103649079-B Hepatitis c inhibitor and application thereof ABBVIE 公司 2016-11-16 CN disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 WO disclosed