SCHEMBL24254590

SCHEMBL24254590

O=C(Cc1cscn1)NI

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SLC6A3 Q01959 4/20 0.36
GPR142 Q7Z601 2/20 0.35
BUB1 O43683 1/20 0.34
NTRK1 P04629 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
FOLH1 Q04609 1/20 0.32

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
SCHEMBL1758875 0.83 PKM (0.46) PKMMAPK1NPSR1GAAMEN1
SCHEMBL21862328 0.81 KDM4E (0.45) PKMMAPK1NPSR1GAAMEN1
SCHEMBL20899785 0.79 MAPK1 (0.44) PKMMAPK1NPSR1GAAMEN1
SCHEMBL860903 0.75
SCHEMBL5672910 0.74 MAPK1 (0.47) PKMMAPK1NPSR1GAAMEN1
SCHEMBL20828337 0.73 POLB (0.55) NPSR1GAAMAPTKMT2AALDH1A1
SCHEMBL243565 0.71
SCHEMBL6964768 0.70 PKM (0.45) PKMMAPK1NPSR1GAAMEN1
SCHEMBL4666843 0.70 PKM (0.49) PKMMAPK1NPSR1GAAMEN1
SCHEMBL19143642 0.70 PKM (0.45) PKMMAPK1NPSR1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023056441-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2023-04-06 WO disclosed
WO-2022035799-A1 HETEROCYCLE CDK INHIBITORS AND THEIR USE THEREOF PRELUDE THERAPEUTICS INCORPORATED (US) 2022-02-17 WO disclosed