SCHEMBL31111338

SCHEMBL31111338

COc1nc(N2CCC(C(=O)O)CC2)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NEK2 P51955 7/20 0.47
PLK1 P53350 1/20 0.46
NEK1 Q96PY6 1/20 0.46
RHOA P61586 1/20 0.42
CYP2C19 P33261 1/20 0.41
NOTUM Q6P988 3/20 0.40
GAA P10253 1/20 0.39
SCN9A Q15858 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KMT2A Q03164 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL20565627 1.00 KDM4E (0.48) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL20564532 0.82 KDM4E (0.50) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL31111336 0.82 KDM4E (0.50) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL25302383 0.78 KDM4E (0.50) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL30547488 0.78 KDM4E (0.50) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL20565726 0.77 WHR1 (0.36) CYP2C19KMT2AFFAR4
SCHEMBL31111323 0.77 WHR1 (0.36) CYP2C19KMT2AFFAR4
SCHEMBL31383392 0.76 RIPK1 (0.52) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL21867257 0.73 SCN10A (0.35) FFAR4
SCHEMBL17985912 0.72 RHOA (0.54) KDM4EUSP2HPGDNPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285572-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-10 CN disclosed
CN-119264073-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-07 CN disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed