SCHEMBL30708255

SCHEMBL30708255

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(C3Cc4nc(SC)nc(N(C)[C@@H]5CCN(C(=O)OC(C)(C)C)C5)c4CC3C)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
EPHX2 P34913 1/20 0.34
KRAS P01116 1/20 0.33
USP30 Q70CQ3 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
PRMT5 O14744 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
SLC2A1 P11166 1/20 0.32
PREP P48147 1/20 0.32
TACR1 P25103 2/20 0.31
PARP1 P09874 1/20 0.31
NR1D1 P20393 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL30708356 0.91 JAK2 (0.35) JAK2JAK1EPHX2KRASUSP30
SCHEMBL21733786 0.86 KRAS (0.44) EPHX2KRASGPR119ALDH1A1KDM4E
SCHEMBL30178124 0.86 KRAS (0.44) EPHX2KRASGPR119ALDH1A1KDM4E
SCHEMBL30708429 0.86 KRAS (0.36) JAK2JAK1EPHX2KRASUSP30
SCHEMBL30708433 0.86 KRAS (0.36) JAK2JAK1EPHX2KRASUSP30
SCHEMBL30708280 0.86 KRAS (0.36) JAK2JAK1EPHX2KRASUSP30
SCHEMBL21734026 0.86 TLR9 (0.36) EPHX2KRASGPR119ALDH1A1KDM4E
SCHEMBL30708297 0.83 KRAS (0.35) KRASPRMT5ALDH1A1KDM4EHPGD
SCHEMBL30708350 0.83 KRAS (0.35) KRASPRMT5ALDH1A1KDM4EHPGD
SCHEMBL30708465 0.83 KRAS (0.35) KRASPRMT5ALDH1A1KDM4EHPGD

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-4547666-A1 METHODS FOR TREATMENT OF CANCER Frontier Medicines Corporation (US) 2025-05-07 EP disclosed
WO-2024006445-A1 METHODS FOR TREATMENT OF CANCER FRONTIER MEDICINES CORPORATION (US) 2024-01-04 WO disclosed