SCHEMBL29929183

SCHEMBL29929183

Nc1nc(N)n(-c2ncnc3sc(-c4ccccc4)cc23)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.57
ALDH1A1 P00352 12/20 0.57
GAA P10253 3/20 0.57
MAPK1 P28482 4/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 3/20 0.55
RXFP1 Q9HBX9 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 3/20 0.54
HSD17B10 Q99714 3/20 0.54
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 2/20 0.48

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
SCHEMBL29929230 0.81 IKBKB (0.61) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL14478873 0.73 ALDH1A1 (0.60) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL29928021 0.72 KDR (0.50) ALDH1A1GAAMAPTLMNAMEN1
SCHEMBL2977154 0.71 ALDH1A1 (0.61) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL14825132 0.71 KDM4E (1.00) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL29285926 0.70 KDM4E (0.62) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL4416533 0.68 ALDH1A1 (0.61) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL13708950 0.68 ALDH1A1 (0.66) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL7062128 0.68 KDM4E (0.83) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL12778882 0.66 IKBKB (0.54) KDM4EMAPTLMNASMN1; SMN2PKM

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
CN-110551105-B Substituted triazoles useful as AXL inhibitors 里格尔制药公司 2022-10-18 CN disclosed