SCHEMBL30708356

SCHEMBL30708356

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C(F)(F)F)c(C3Cc4nc(S(C)(=O)=O)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 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
EPHX2 P34913 1/20 0.35
GPR119 Q8TDV5 7/20 0.34
CYP2C9 P11712 1/20 0.34
STS P08842 2/20 0.33
KRAS P01116 1/20 0.33
USP30 Q70CQ3 2/20 0.33
PRMT5 O14744 1/20 0.33
BMP1 P13497 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SLC2A1 P11166 1/20 0.32

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
SCHEMBL30708255 0.91 JAK2 (0.35) JAK2JAK1EPHX2GPR119KRAS
SCHEMBL30708428 0.90 GPR119 (0.34) JAK2JAK1EPHX2GPR119KRAS
SCHEMBL21733830 0.87 GPR119 (0.38) EPHX2GPR119KRASBMP1KDM4E
SCHEMBL21733788 0.86 KRAS (0.44) GPR119KRAS
SCHEMBL30708429 0.86 KRAS (0.36) JAK2JAK1EPHX2GPR119KRAS
SCHEMBL30708433 0.86 KRAS (0.36) JAK2JAK1EPHX2GPR119KRAS
SCHEMBL30708280 0.86 KRAS (0.36) JAK2JAK1EPHX2GPR119KRAS
SCHEMBL30708465 0.83 KRAS (0.35) KRASPRMT5KDM4EALDH1A1HPGD
SCHEMBL30708297 0.83 KRAS (0.35) KRASPRMT5KDM4EALDH1A1HPGD
SCHEMBL30708350 0.83 KRAS (0.35) KRASPRMT5KDM4EALDH1A1HPGD

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