SCHEMBL30955563

SCHEMBL30955563

CC(C)N1C(=O)N(c2cnc(NS(=O)(=O)Cc3ccc(F)cc3)c(F)c2)Cc2cnc(NC3CCC(N(C)C)CC3)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.54
TNK2 Q07912 2/20 0.32
MAP4K2 Q12851 2/20 0.32
FGFR4 P22455 2/20 0.32
MAPK1 P28482 3/20 0.32
EGFR P00533 2/20 0.32
FYN P06241 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
PRKACA P17612 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
KDR P35968 1/20 0.32
EPHB3 P54753 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNE1 P24864 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
SCHEMBL30955598 0.95 ERN1 (0.47) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955493 0.91 ERN1 (0.54) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955566 0.88 ERN1 (0.60) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955607 0.87 ERN1 (0.59) ERN1TNK2MAP4K2FGFR4EGFR
SCHEMBL30955617 0.87 ERN1 (0.41) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955542 0.87 ERN1 (0.49) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955483 0.87 ERN1 (0.54) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955530 0.85 ERN1 (0.47) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955613 0.85 ERN1 (0.47) ERN1TNK2MAP4K2FGFR4MAPK1
SCHEMBL30955606 0.85 ERN1 (0.47) ERN1FGFR4MAPK1EGFRFYN

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
WO-2024131893-A1 IRE1α SMALL MOLECULE INHIBITORS SHANGHAI YI ZHONG XING BIOTECHNOLOGY CO., LTD. (CN) 2024-06-27 WO claimed
WO-2024131893-A1 IRE1α SMALL MOLECULE INHIBITORS SHANGHAI YI ZHONG XING BIOTECHNOLOGY CO., LTD. (CN) 2024-06-27 WO disclosed