SCHEMBL28530631

SCHEMBL28530631

Cc1ccc2nc(NC(=O)C34CC5CC(C)(CC(C)(C5)C3)C4)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
NPC1 O15118 10/20 0.55
RAB9A P51151 10/20 0.55
CNR1 P21554 1/20 0.52
CLK1 P49759 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
ACP1 P24666 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
KMT2A Q03164 2/20 0.47
RELA Q04206 2/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL30944384 1.00 DYRK1A (0.55) DYRK1ANPC1RAB9ACNR1CLK1
SCHEMBL30944419 0.88 RAB9A (0.56) DYRK1ANPC1RAB9ACNR1CLK1
SCHEMBL30944383 0.88 DYRK1A (0.56) DYRK1ANPC1RAB9ACNR1CLK1
SCHEMBL31236381 0.88 NPC1 (0.66) DYRK1ANPC1RAB9ACNR1CLK1
SCHEMBL30944425 0.87 NPC1 (0.67) DYRK1ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL30944301 0.86 DYRK1A (0.58) DYRK1ANPC1RAB9ACNR1CLK1
SCHEMBL30944318 0.86 DYRK1A (0.58) DYRK1ANPC1RAB9ACNR1CLK1
SCHEMBL28530647 0.86 DYRK1A (0.58) DYRK1ANPC1RAB9ACNR1CLK1
SCHEMBL30944393 0.86 CNR1 (0.71) DYRK1ANPC1RAB9ACNR1SMN1; SMN2
SCHEMBL30944298 0.85 NPC1 (0.61) NPC1RAB9ACNR1SMN1; SMN2TP53

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-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 CN claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed
CN-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 CN disclosed