SCHEMBL30955490

SCHEMBL30955490

CC(C)N1C(=O)N(c2ccc(NS(=O)(=O)C(C)c3ccc(F)cc3)c(F)c2)Cc2cnc(NC3CCC(N(C)C)CC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
MAPK8 P45983 4/20 0.35
MAPK14 Q16539 4/20 0.35
EGFR P00533 5/20 0.34
FGFR4 P22455 2/20 0.34
FYN P06241 1/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
PRKACA P17612 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR3 P22607 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
MAPK1 P28482 1/20 0.34
KDR P35968 1/20 0.34
EPHB3 P54753 1/20 0.34
TNK2 Q07912 1/20 0.33
MAP4K2 Q12851 1/20 0.33
MAPK9 P45984 3/20 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
SCHEMBL30955560 1.00 ERN1 (0.43) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955498 1.00 ERN1 (0.43) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955561 0.91 ERN1 (0.43) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955493 0.89 ERN1 (0.54) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955556 0.89 ERN1 (0.43) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955604 0.89 ERN1 (0.41) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955501 0.87 ERN1 (0.39) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955548 0.87 ERN1 (0.43) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955594 0.87 ERN1 (0.45) ERN1MAPK8MAPK14EGFRFGFR4
SCHEMBL30955572 0.86 ERN1 (0.39) ERN1MAPK8MAPK14EGFRFGFR4

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