SCHEMBL30716680

SCHEMBL30716680

COCc1cc2c(Cl)ccnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.42
▸ KDM5B Q9UGL1 2/20 0.42
▸ AXL P30530 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ NUDT1 P36639 1/20 0.40
▸ DAO P14920 1/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ MAOA P21397 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ CCNK O75909 4/20 0.35
▸ CDK12 Q9NYV4 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ABL1 P00519 1/20 0.34

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
SCHEMBL21428737 1.00 KDM5A (0.42) KDM5AKDM5BAXLPRKCINUDT1
SCHEMBL26686124 0.84 AXL (0.38) KDM5AKDM5BAXLPRKCINUDT1
SCHEMBL3415919 0.82 AXL (0.44) AXLPRKCINUDT1DAOCDK9
SCHEMBL30571033 0.82 AXL (0.44) AXLPRKCINUDT1DAOCDK9
SCHEMBL26889215 0.80 HTT (0.45) AXLPRKCINUDT1DAOCDK9
SCHEMBL21429079 0.79 NUDT1 (0.59) KDM5AKDM5BAXLPRKCINUDT1
SCHEMBL31420473 0.79 NUDT1 (0.59) KDM5AKDM5BAXLPRKCINUDT1
SCHEMBL26889252 0.78 HTT (0.43) CCNKCDK12SMN1; SMN2KDM4EALDH1A1
SCHEMBL26686642 0.78 AXL (0.41) AXLPRKCINUDT1DAOCDK9
SCHEMBL21428794 0.78 KDM5A (0.39) KDM5AKDM5BNUDT1MAOADYRK1A

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-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 — — CN disclosed
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