SCHEMBL31153943

SCHEMBL31153943

N#Cc1cnn2c(=O)[nH]c(=S)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 3/20 0.45
▸ KDM4D Q6B0I6 2/20 0.42
▸ KDM5A P29375 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ GAA P10253 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL16077836 0.70 PLAT (0.47) PLATKDM4DKDM5AKDM4EALDH1A1
SCHEMBL17547885 0.68 KDM5A (0.40) PLATKDM4DKDM5AKDM4EALDH1A1
SCHEMBL16050559 0.68 PLAT (0.42) PLATKDM4DKDM5AKDM4EALDH1A1
SCHEMBL16046782 0.67 KDM5A (0.57) PLATKDM4DKDM5AKDM4EALDH1A1
SCHEMBL16077834 0.67 KDM5A (0.53) PLATKDM4DKDM5AKDM4EALDH1A1
SCHEMBL14994328 0.67 PLAT (0.53) PLATKDM4DKDM5A
SCHEMBL16046587 0.67 KDM4D (0.50) PLATKDM4DKDM4EALDH1A1GAA
SCHEMBL4216536 0.67 KDM4D (0.59) PLATKDM4DKDM4EALDH1A1HPGD
SCHEMBL16046503 0.67 PLAT (0.44) PLATKDM4DKDM4EALDH1A1
SCHEMBL16047129 0.66 KDM5A (0.50) PLATKDM4DKDM5AKDM4EALDH1A1

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
WO-2024220399-A1 PYRAZOLOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-10-24 — — WO disclosed
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