SCHEMBL24101692

SCHEMBL24101692

Cc1nnc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)s1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ GAA P10253 3/20 0.65
▸ CTPS1 P17812 7/20 0.60
▸ LMNA P02545 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ KDR P35968 1/20 0.57
▸ KDM1A O60341 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CCNK O75909 1/20 0.48
▸ DDB1 Q16531 1/20 0.48
▸ CDK12 Q9NYV4 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL24101683 0.87 MEN1 (0.61) MAPTGAACTPS1LMNARAB9A
SCHEMBL24101406 0.85 MAPT (0.70) MAPTGAACTPS1LMNARAB9A
SCHEMBL24101421 0.83 MAPT (0.77) MAPTGAACTPS1LMNAHTT
SCHEMBL24101679 0.82 MAPT (0.67) MAPTGAACTPS1LMNARAB9A
SCHEMBL24101680 0.81 MAPT (0.50) MAPTGAALMNARAB9AHTT
SCHEMBL24101768 0.78 MAPT (0.79) MAPTGAACTPS1LMNARAB9A
SCHEMBL24101404 0.77 CCNK (0.52) MAPTGAALMNARAB9AHTT
SCHEMBL4041341 0.76 GAA (0.66) MAPTGAALMNARAB9AHTT
SCHEMBL24101686 0.72 PDE5A (0.63) MAPTGAACTPS1LMNARAB9A
SCHEMBL24101742 0.72 CCNK (0.72) MAPTGAACTPS1RAB9AHTT

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-2021249517-A1 A MOLECULAR GLUE REGULATING CDK12-DDB1 INTERACTION TO TRIGGER CYCLIN K DEGRADATION NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-12-16 — — WO disclosed
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