SCHEMBL30955652

SCHEMBL30955652

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
TNK2 Q07912 2/20 0.37
MAP4K2 Q12851 2/20 0.37
FGFR4 P22455 6/20 0.37
MAPK8 P45983 2/20 0.35
MAPK10 P53779 2/20 0.35
MAPK1 P28482 3/20 0.34
EGFR P00533 3/20 0.34
MAPK3 P27361 1/20 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
KDR P35968 1/20 0.34
EPHB3 P54753 1/20 0.34

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
SCHEMBL30955650 0.89 ERN1 (0.38) ERN1TNK2MAP4K2FGFR4MAPK8
SCHEMBL30955499 0.89 TNK2 (0.47) TNK2MAP4K2FGFR4
SCHEMBL30955648 0.86 MAPK8 (0.37) ERN1TNK2MAP4K2FGFR4MAPK8
SCHEMBL30955556 0.86 ERN1 (0.43) ERN1TNK2MAP4K2FGFR4MAPK8
SCHEMBL30955501 0.84 ERN1 (0.39) ERN1TNK2MAP4K2FGFR4MAPK8
SCHEMBL30955561 0.84 ERN1 (0.43) ERN1TNK2MAP4K2FGFR4MAPK8
SCHEMBL30955548 0.84 ERN1 (0.43) ERN1TNK2MAP4K2FGFR4MAPK8
SCHEMBL30955654 0.84 FGFR1 (0.34) ERN1FGFR4MAPK1FGFR1FGFR2
SCHEMBL30955560 0.84 ERN1 (0.43) ERN1TNK2MAP4K2FGFR4MAPK8
SCHEMBL30955490 0.84 ERN1 (0.43) ERN1TNK2MAP4K2FGFR4MAPK8

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