SCHEMBL29958178

SCHEMBL29958178

Nc1nc(N)c(C=O)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
PDPK1 O15530 1/20 0.31
DCPS Q96C86 1/20 0.31
ADORA2A P29274 1/20 0.31

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
SCHEMBL6364307 0.85 LMNA (0.50) LMNAMEN1MAPTMAPK1KMT2A
SCHEMBL6359113 0.83 LMNA (0.33) LMNAMEN1MAPTKMT2APDPK1
SCHEMBL3739911 0.78 MAPT (0.35) LMNAMEN1MAPTMAPK1KMT2A
SCHEMBL192661 0.74 LMNA (0.55) LMNAMEN1MAPTKMT2ARAB9A
SCHEMBL3739611 0.73 NLRP3 (0.36) MEN1MAPTMAPK1KMT2ACCNA2
SCHEMBL9288161 0.72 ALDH1A1 (0.40) LMNAMEN1MAPK1KMT2ARAB9A
SCHEMBL13904660 0.72 LMNA (0.36) LMNARAB9A
SCHEMBL11112327 0.69 ALDH1A1 (0.34) LMNAMAPK1
SCHEMBL28264362 0.69 LRRK2 (0.36) LMNACDK2ADORA2A
SCHEMBL4218323 0.68 KCNH2 (0.37) LMNACCNA2CDK2CCNA1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed