SCHEMBL29616747

SCHEMBL29616747

Cc1nc2cc(C(=O)Nc3nc(-c4ccccn4)cs3)ccc2n1CCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.57
KDM4A O75164 4/20 0.54
KDM4B O94953 4/20 0.54
KDM5B Q9UGL1 4/20 0.54
KDM4E B2RXH2 6/20 0.54
MAPT P10636 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GRM1 Q13255 1/20 0.52
HTT P42858 3/20 0.52
KDM5C P41229 2/20 0.52
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL15173226 1.00 ADORA3 (0.57) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL23417815 0.92 ADORA3 (0.56) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL23417740 0.91 ADORA3 (0.56) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL15173407 0.90 KDM4A (0.54) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL23418017 0.89 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL26421517 0.89 ADORA3 (0.55) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL26421519 0.87 ADORA3 (0.52) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL15182791 0.87 MAPT (0.49) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL23417908 0.86 ADORA3 (0.51) ADORA3KDM4AKDM4BKDM5BKDM4E
SCHEMBL23417847 0.86 ADORA3 (0.66) ADORA3KDM4AKDM4BKDM5BKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3993818-A2 CD38-BINDING AGENTS AND USES THEREOF Kleo Pharmaceuticals, Inc. (US) 2022-05-11 EP disclosed
CN-114401732-A CD38 binding agents and uses thereof 克莱奥药品有限公司 2022-04-26 CN disclosed