SCHEMBL31586483

SCHEMBL31586483

Nc1cccc2[nH]nc(C3CCCCO3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAP2K1 Q02750 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ KDR P35968 5/20 0.34
▸ KIT P10721 3/20 0.34
▸ FLT3 P36888 3/20 0.34
▸ AXL P30530 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ LCK P06239 2/20 0.31
▸ CSF1R P07333 2/20 0.31
▸ FGFR1 P11362 2/20 0.31
▸ PRKACA P17612 2/20 0.31
▸ ROCK1 Q13464 2/20 0.31
▸ GSK3B P49841 2/20 0.31

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
SCHEMBL3402451 0.86 GAA (0.44) GAAPIM1PIM2KDRKIT
SCHEMBL15740705 0.83 PIM1 (0.33) GAAMAP2K1PDPK1PIM1PIM2
SCHEMBL31190772 0.81 PIM1 (0.33) PIM1PIM2NPC1ALDH1A1RAB9A
SCHEMBL15742197 0.78 PIM1 (0.33) PIM1PIM2KDRKITFLT3
SCHEMBL29705888 0.77 MAPK8 (0.37) PIM1PIM2AURKAMAPK8MAPK9
SCHEMBL30540792 0.77 RAB9A (0.42) GAAPDPK1PIM1PIM2NPC1
SCHEMBL27901411 0.76 GAA (0.46) GAAMAP2K1PDPK1PIM1PIM2
SCHEMBL17103718 0.74 AURKA (0.33) PIM1PIM2AURKAPAK4MAPK8
SCHEMBL19616582 0.74 MAPK8 (0.30) NPC1RAB9AAURKAAURKBMAPK8
SCHEMBL19616876 0.74 PRKAB2 (0.32) —

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-2025106014-A1 COMPOUNDS AND METHODS FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2025-05-22 — — WO disclosed
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