SCHEMBL27415512

SCHEMBL27415512

COc1c(C)cccc1-c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.41
▸ CTSA P10619 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38

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
SCHEMBL14176639 0.82 SCN8A (0.45) CTSATSHRRAB9ASMN1; SMN2NPC1
SCHEMBL28308744 0.81 KDM4E (0.51) GAAMGAMSIMGAM2RAB9A
SCHEMBL29869241 0.80 IKBKB (0.43) IKBKBGAARAB9ASMN1; SMN2TP53
SCHEMBL7832536 0.78 CTSA (0.36) CTSASMN1; SMN2TLR8KDM4EMAPK1
SCHEMBL17194888 0.77 CLK4 (0.43) CTSATSHRGAARAB9ASMN1; SMN2
SCHEMBL13000747 0.76 ALDH1A1 (0.44) TSHRGAAMGAMSIMGAM2
SCHEMBL17194883 0.76 CCNT1 (0.43) CTSAMEN1KMT2ATEKTLR8
SCHEMBL2782878 0.76 CTSA (0.44) IKBKBCTSAGAARAB9ASMN1; SMN2
SCHEMBL1423554 0.76 SQOR (0.46) IKBKBTSHRRAB9ANPC1MEN1
SCHEMBL8503115 0.76 CA1 (0.51) IKBKBRAB9ASMN1; SMN2NPC1KMT2A

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-2024137548-A2 INHIBITORS OF JAK2 Llydaw Therapeutics, Inc. (US) 2024-06-27 — — WO disclosed
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