Sugi Predict

Sugi Predict / Compounds / SCHEMBL1720809

SCHEMBL1720809

SCHEMBL1720809

CC(C)(C)OC(=O)N1CC[C@H](Nc2nc(N)nc3sc(CCc4ccc(F)cc4)nc23)C1.Nc1nc(NC2CCCN(C(=O)OCc3ccccc3)C2)c2nc(CCc3ccc(F)cc3)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 5/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ BTK Q06187 1/20 0.39
▸ DNMT3A Q9Y6K1 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PIM1 P11309 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CCR3 P51677 2/20 0.36

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
SCHEMBL654249 0.93 ENPP2 (0.41) ENPP2USP30PARP1ADORA1
SCHEMBL652050 0.91 DNMT3A (0.45) ENPP2BTKDNMT3APARP1ADORA1
SCHEMBL656562 0.74 PI4KB (0.45) BTK
SCHEMBL653758 0.71 MAP4K4 (0.41) BTKPIM1PIM2
SCHEMBL4005798 0.71 PIM1 (0.46) USP30BTKDNMT3APARP1PIM1
SCHEMBL8147665 0.69 PIK3CD (0.49) USP30BTKDNMT3APARP1PIM1
SCHEMBL24411916 0.69 USP30 (0.51) USP30PARP1
SCHEMBL22358901 0.69 USP30 (0.51) USP30PARP1
SCHEMBL2618735 0.68 SMN1; SMN2 (0.54) USP30
SCHEMBL13303655 0.68 SMN1; SMN2 (0.56) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 — — EP disclosed