SCHEMBL30945528

SCHEMBL30945528

NC(=NC(=O)Nc1ccccc1Br)Nc1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
MAPT P10636 4/20 0.50
ADORA1 P30542 2/20 0.50
ALDH1A1 P00352 1/20 0.50
DYRK1A Q13627 1/20 0.50
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.46
CSNK1D P48730 2/20 0.45
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
GRM1 Q13255 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
SCHEMBL30945507 0.86 RAB9A (0.51) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945533 0.86 RAB9A (0.57) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945519 0.86 NPC1 (0.55) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945514 0.84 BUB1 (0.53) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945512 0.83 NPC1 (0.58) MAPTADORA1ALDH1A1DYRK1ANPC1
SCHEMBL30945492 0.83 NPC1 (0.58) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945503 0.80 RAB9A (0.62) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945526 0.79 RAB9A (0.54) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945491 0.79 NPC1 (0.53) GAAMAPTADORA1ALDH1A1DYRK1A
SCHEMBL30945502 0.79 ADORA1 (0.53) GAAMAPTADORA1ALDH1A1DYRK1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638427-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER Université Côte d'Azur (FR) 2025-10-29 EP disclosed
WO-2024133857-A1 AMIDINOUREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITE COTE D'AZUR (FR) 2024-06-27 WO disclosed