SCHEMBL28949487

SCHEMBL28949487

NC(=O)c1cccnc1Nc1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
MAPT P10636 5/20 0.65
ALDH1A1 P00352 5/20 0.65
RAB9A P51151 4/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
NPC1 O15118 3/20 0.65
KCNH2 Q12809 1/20 0.65
AURKA O14965 1/20 0.64
RPS6KB1 P23443 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.60
AHR P35869 1/20 0.60
SYK P43405 4/20 0.55
DHODH Q02127 2/20 0.52
HTT P42858 2/20 0.52
EGFR P00533 3/20 0.51
PKM P14618 2/20 0.51
MAPK1 P28482 1/20 0.51
GMNN O75496 1/20 0.51
TTR P02766 1/20 0.51

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
SCHEMBL29898238 1.00 LMNA (0.71) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL28282946 0.84 LMNA (0.73) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL22452840 0.84 MEN1 (0.58) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL5255345 0.83 LMNA (0.71) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL9496511 0.83 LMNA (1.00) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL5083062 0.83 RAB9A (0.72) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL28309786 0.83 LMNA (0.71) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL2714471 0.82 LMNA (0.70) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL479805 0.82 DHODH (0.76) LMNAMAPTALDH1A1RAB9AMEN1
SCHEMBL28787832 0.81 SYK (0.68) LMNAAURKARPS6KB1SYKEGFR

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
CN-116574053-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-08-11 CN disclosed
CN-114989079-B RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-06-23 CN disclosed
CN-114989079-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2022-09-02 CN disclosed