SCHEMBL31043302

SCHEMBL31043302

CC1COC=C(c2ccc3scnc3c2)N1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 10/20 0.35
▸ LCK P06239 7/20 0.35
▸ KDR P35968 7/20 0.35
▸ MAP3K11 Q16584 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ TGFBR1 P36897 5/20 0.34
▸ FASN P49327 1/20 0.34
▸ CTSC P53634 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33

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
SCHEMBL31254524 0.75 RIPK2 (0.41) RIPK2LCKKDRFFAR1CSNK1D
SCHEMBL31254525 0.74 RIPK2 (0.36) RIPK2LCKKDRMAP3K11FFAR1
SCHEMBL28048502 0.71 ALDH1A1 (0.54) RIPK2LCKKDRFFAR1TGFBR1
SCHEMBL24365111 0.69 RIPK2 (0.38) RIPK2LCKKDRFFAR1TGFBR1
SCHEMBL31017216 0.69 RIPK2 (0.38) RIPK2LCKKDRFFAR1TGFBR1
SCHEMBL25786944 0.69 RIPK2 (0.38) RIPK2LCKKDRFFAR1TGFBR1
SCHEMBL31043230 0.68 RIPK2 (0.33) RIPK2FFAR1TGFBR1DYRK2
SCHEMBL31424111 0.68 FFAR1 (0.34) RIPK2LCKKDRFFAR1TGFBR1
SCHEMBL31043183 0.68 RIPK2 (0.33) RIPK2FFAR1TGFBR1DYRK2
SCHEMBL31043156 0.68 RIPK2 (0.33) RIPK2FFAR1TGFBR1DYRK2

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-2024160058-A1 OXALIC ACID DIAMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 四川科伦博泰生物医药股份有限公司 2024-08-08 — — WO disclosed
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