SCHEMBL31039239

SCHEMBL31039239

COC(=O)c1cc(Cl)nc(C)c1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
NQO2 P16083 6/20 0.47
ABL1 P00519 1/20 0.46
POLB P06746 1/20 0.45
ACHE P22303 4/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL535539 1.00 KDM4E (0.51) KDM4ENQO2ABL1POLBACHE
SCHEMBL3632813 0.94 KDM4E (0.50) KDM4ENQO2ABL1POLBACHE
SCHEMBL110643 0.85 KDM4E (0.53) KDM4ENQO2ABL1POLBACHE
SCHEMBL29678780 0.85 KDM4E (0.53) KDM4ENQO2ABL1POLBACHE
SCHEMBL31310191 0.83 KDM4E (0.56) KDM4ENQO2POLBACHEGAA
SCHEMBL26639879 0.82 KDM4E (0.50) KDM4ENQO2ABL1POLBACHE
SCHEMBL536169 0.82 KDM4E (0.50) KDM4ENQO2ABL1POLBGAA
SCHEMBL30657473 0.82 KDM4E (0.50) KDM4ENQO2ABL1POLBACHE
SCHEMBL17979068 0.82 KDM4E (0.50) KDM4ENQO2ABL1POLBACHE
SCHEMBL535611 0.81 KDM4E (0.47) KDM4EGAASMN1; SMN2ALDH1A1HPGD

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-4655296-A1 CBL-B INHIBITORS Aurigene Oncology Limited (IN) 2025-12-03 EP disclosed
WO-2024156938-A1 CBL-B INHIBITORS ORION CORPORATION (FI) 2024-08-02 WO disclosed