SCHEMBL31362733

SCHEMBL31362733

N#CC1(c2ccc(NC(=O)c3cccnc3NCc3cccnc3)cc2)CCCC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.83
MAP3K20 Q9NYL2 2/20 0.83
RIPK3 Q9Y572 2/20 0.83
KDR P35968 14/20 0.77
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ABCB1 P08183 1/20 0.48
CIT O14578 1/20 0.45
MAP3K7 O43318 1/20 0.45
RIPK2 O43353 1/20 0.45
STK10 O94804 1/20 0.45

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
SCHEMBL31362718 0.92 RET (0.88) RETMAP3K20RIPK3KDRNPC1
Rivoceranib SCHEMBL29360856 0.91 RET (1.00) RETMAP3K20RIPK3KDRNPC1
Rivoceranib SCHEMBL1814966 0.91 RET (1.00) RETMAP3K20RIPK3KDRNPC1
SCHEMBL6014666 0.90 RET (0.98) RETMAP3K20RIPK3KDRNPC1
SCHEMBL6014575 0.89 RET (0.96) RETMAP3K20RIPK3KDRNPC1
SCHEMBL31362698 0.87 RET (0.83) RETMAP3K20RIPK3KDRNPC1
SCHEMBL6014552 0.87 RET (0.93) RETMAP3K20RIPK3KDRABCB1
Rivoceranib SCHEMBL21847695 0.87 KDR (1.00) RETMAP3K20RIPK3KDRNPC1
SCHEMBL31362723 0.83 RET (0.73) RETMAP3K20RIPK3KDRNPC1
SCHEMBL31362711 0.81 RET (0.70) RETMAP3K20RIPK3KDRNPC1

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-2025024564-A1 SMALL MOLECULES THAT PREVENT STATIN-INDUCED ACCUMULATION OF HMG COA REDUCTASE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-01-30 WO disclosed