SCHEMBL17857141

SCHEMBL17857141

CC(C)(C)C(=O)Nc1ccc(N)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ADORA1 P30542 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3922902 0.80 L3MBTL1 (0.48) L3MBTL1ADORA1CA1CA2CA9
SCHEMBL19924514 0.79 GLS (0.49) L3MBTL1ADORA1ALDH1A1MAPTKDM4E
SCHEMBL13904227 0.79 L3MBTL1 (0.47) L3MBTL1ADORA1CA1CA2CA9
SCHEMBL15017984 0.79 L3MBTL1 (0.47) L3MBTL1ADORA1CA1CA2CA9
SCHEMBL5591663 0.79 L3MBTL1 (0.47) L3MBTL1ADORA1KMT2APOLBALDH1A1
SCHEMBL3923269 0.77 L3MBTL1 (0.46) L3MBTL1ADORA1CA1CA2CA9
SCHEMBL5598367 0.75 L3MBTL1 (0.43) L3MBTL1ADORA1KMT2APOLBALDH1A1
SCHEMBL3211414 0.74 XIAP (0.59) L3MBTL1ADORA1KMT2APOLBALDH1A1
SCHEMBL1163357 0.74 PTGS1 (0.54) L3MBTL1ADORA1ALDH1A1MAPTNPC1
SCHEMBL15017866 0.73 GLS (0.43) L3MBTL1ADORA1POLBALDH1A1MAPT

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
WO-2016097347-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-23 WO disclosed