SCHEMBL29640179

SCHEMBL29640179

Cc1cnnc(NC(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.43
NR3C2 P08235 9/20 0.41
KIF11 P52732 1/20 0.38
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NNMT P40261 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
CDK8 P49336 1/20 0.34
ATM Q13315 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
SCHEMBL19736366 0.83 PIK3C3 (0.53) MEN1KMT2APIK3C3
SCHEMBL19728687 0.79 RAB9A (0.40) MEN1KMT2APIK3C3MAPTRAB9A
SCHEMBL23015670 0.77 KIF11 (0.42) MEN1KMT2ANR3C2KIF11RAB9A
SCHEMBL24542817 0.75 AAK1 (0.40) PIK3C3TRPV1
SCHEMBL6508707 0.72 KMT2A (0.60) MEN1KMT2AMAPK1MAPTRAB9A
SCHEMBL2629423 0.71
SCHEMBL3415008 0.71 PARP1 (0.38) NNMTATM
SCHEMBL20068995 0.71 TDP1 (0.62) KMT2AMAPTRAB9A
SCHEMBL9749752 0.70 NR3C2 (0.64) MEN1KMT2ANR3C2MAPTRAB9A
SCHEMBL17382220 0.68 KIF11 (0.47) KIF11MAPTATM

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
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed