SCHEMBL30945533

SCHEMBL30945533

NC(=NC(=O)Nc1ccccc1F)Nc1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.57
NPC1 O15118 11/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GFER P55789 1/20 0.51
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ADORA1 P30542 1/20 0.50
DYRK1A Q13627 1/20 0.50
RECQL P46063 1/20 0.49

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) RAB9ANPC1KDM4ENFKB1NFKB2
SCHEMBL30945519 0.86 NPC1 (0.55) RAB9ANPC1POLBKDM4ENFKB1
SCHEMBL30945528 0.86 GAA (0.50) RAB9ANPC1POLBKDM4ENFKB1
SCHEMBL30945503 0.85 RAB9A (0.62) RAB9ANPC1POLBKDM4ENFKB1
SCHEMBL30945514 0.84 BUB1 (0.53) RAB9ANPC1POLBKDM4ENFKB1
SCHEMBL30945512 0.83 NPC1 (0.58) RAB9ANPC1POLBKDM4ENFKB1
SCHEMBL30945492 0.83 NPC1 (0.58) RAB9ANPC1POLBKDM4ENFKB1
SCHEMBL11421487 0.81 RAB9A (0.77) RAB9ANPC1POLBKDM4ENFKB1
SCHEMBL30945498 0.81 NPC1 (0.53) RAB9ANPC1KDM4ENFKB1NFKB2
SCHEMBL30945490 0.80 DHODH (0.59) RAB9ANPC1POLBKDM4EMEN1

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