SCHEMBL25929941

SCHEMBL25929941

CCN1CCC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(-c5cnc(N6CCOC(C)(C)C6)c(C)c5)nc34)cn2)CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.34
MET P08581 4/20 0.33
MAP3K7 O43318 5/20 0.33
TAB1 Q15750 5/20 0.33
EGFR P00533 2/20 0.33
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
BRD4 O60885 1/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
KHK P50053 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 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
SCHEMBL25931437 0.92 KHK (0.35) FFAR2METMAP3K7TAB1EGFR
SCHEMBL25927872 0.91 JAK2 (0.38) METMAP3K7TAB1EGFRJAK2
SCHEMBL25930808 0.90 MET (0.37) FFAR2METMAP3K7TAB1JAK1
SCHEMBL25930865 0.87 MET (0.36) METMAP3K7TAB1EGFRJAK2
SCHEMBL25929685 0.87 MET (0.34) FFAR2METMAP3K7TAB1EGFR
SCHEMBL25927780 0.85 JAK2 (0.37) METMAP3K7TAB1EGFRJAK2
SCHEMBL25929408 0.84 JAK2 (0.36) METMAP3K7TAB1EGFRJAK2
SCHEMBL25931287 0.84 JAK2 (0.42) METMAP3K7TAB1EGFRJAK2
SCHEMBL25929520 0.83 JAK2 (0.36) METEGFRJAK2ABL1JAK1
SCHEMBL25932250 0.83 FFAR2 (0.34) FFAR2METMAP3K7TAB1EGFR

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-2023131271-A1 PYRROLE FUSED-RING PYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2023-07-13 WO disclosed