SCHEMBL29138040

SCHEMBL29138040

O=C(O)c1ccc(-c2ccncn2)c(-c2ccncn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
NAPRT Q6XQN6 1/20 0.42
TTR P02766 2/20 0.42
P4HA1 P13674 2/20 0.41
PTPRC P08575 2/20 0.41
CAMKK2 Q96RR4 1/20 0.41
KDM6B O15054 3/20 0.41
KDM4A O75164 3/20 0.41
KDM5C P41229 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM3A Q9Y4C1 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
TET3 O43151 1/20 0.41
BBOX1 O75936 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KDM5A P29375 1/20 0.41
ASPH Q12797 1/20 0.41

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
SCHEMBL2041471 0.86 TSHR (0.47) POLBNAPRTTTRP4HA1CAMKK2
SCHEMBL29788123 0.86 TSHR (0.47) POLBNAPRTTTRP4HA1CAMKK2
SCHEMBL29138051 0.85 AR (0.41) KDM5CKDM5BARKDRTEK
SCHEMBL29138086 0.80 KDR (0.62) POLBKDM4EALDH1A1KDRTEK
SCHEMBL4772421 0.77 CAMK2D (0.54) NAPRTCAMKK2KDM4EALDH1A1
SCHEMBL940865 0.77 KMO (0.57) CAMKK2KDM6BKDM4AKDM5CKDM2A
SCHEMBL30285920 0.77 KMO (0.57) CAMKK2KDM6BKDM4AKDM5CKDM2A
SCHEMBL3994507 0.75 CASP6 (0.38)
SCHEMBL29138039 0.75 KDR (0.52) POLBMAPTKDRTEKKMT2A
SCHEMBL22719341 0.74 JAK2 (0.47) CAMKK2KDM4EALDH1A1

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-117343081-A MAT2A inhibitor, pharmaceutical composition and application thereof 南京正大天晴制药有限公司 2024-01-05 CN disclosed