SCHEMBL24685652

SCHEMBL24685652

CC(C)(C)OC(=O)N1CCC(NC(=O)NC2(c3ccc(F)c(F)c3)CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(F)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TACR1 P25103 1/20 0.44
RORC P51449 4/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
DPP4 P27487 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
MMP13 P45452 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
SCHEMBL29995068 1.00 JAK2 (0.44) JAK2JAK1TACR1RORCTSHR
SCHEMBL29532756 0.84 RORC (0.46) JAK2JAK1TACR1RORCTSHR
SCHEMBL2352484 0.84 RORC (0.46) JAK2JAK1TACR1RORCTSHR
SCHEMBL29087345 0.83 JAK2 (0.45) JAK2JAK1TACR1RORCTSHR
SCHEMBL29087370 0.82 TSHR (0.47) JAK2JAK1TACR1RORCTSHR
SCHEMBL13404311 0.81 TACR1 (0.48) JAK2JAK1TACR1RORCTSHR
SCHEMBL29087380 0.80 RORC (0.45) RORCGPR119MMP13
SCHEMBL29995104 0.80 RORC (0.45) RORCGPR119MMP13
SCHEMBL27225781 0.80 JAK2 (0.47) JAK2JAK1TACR1RORCTSHR
SCHEMBL2430889 0.80 RORC (0.48) JAK2JAK1TACR1RORCHDAC1

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
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed
WO-2022167867-A1 SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed