SCHEMBL31111336

SCHEMBL31111336

O=C(O)C1CCN(c2nc(F)c(F)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NEK2 P51955 4/20 0.49
CYP2C19 P33261 1/20 0.46
RHOA P61586 1/20 0.46
NOTUM Q6P988 7/20 0.45
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.41
ATM Q13315 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN9A Q15858 1/20 0.40
MAP2K7 O14733 1/20 0.40
PLK1 P53350 1/20 0.40

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
SCHEMBL20564532 1.00 KDM4E (0.50) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL20565627 0.82 KDM4E (0.48) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL31111338 0.82 KDM4E (0.48) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL20565594 0.80 ALDH1A1 (0.56) KDM4EHPGDNPSR1HSD17B10LMNA
SCHEMBL17985912 0.77 RHOA (0.54) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL7140165 0.77 NOTUM (0.66) USP2NPSR1NOTUMLMNAHTT
SCHEMBL31381239 0.75 NEK2 (0.49) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL20565681 0.75 KDM4E (0.56) KDM4EUSP2HPGDNPSR1HSD17B10
Hydrochloric Acid SCHEMBL20565233 0.74 KDM4E (0.55) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL31381279 0.73 LMNA (0.54) KDM4EHPGDNEK2CYP2C19NOTUM

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