SCHEMBL25930792

SCHEMBL25930792

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
EGFR P00533 2/20 0.38
FGFR1 P11362 3/20 0.37
FGFR2 P21802 3/20 0.37
FGFR3 P22607 3/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
MET P08581 1/20 0.36
SCN9A Q15858 2/20 0.36
MAP3K7 O43318 3/20 0.35
TAB1 Q15750 3/20 0.35
JAK1 P23458 2/20 0.35
BRD4 O60885 1/20 0.34
MAP3K5 Q99683 2/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL25931896 0.84 EGFR (0.36) AXLMERTKEGFRFGFR1FGFR2
SCHEMBL25927872 0.84 JAK2 (0.38) AXLMERTKEGFRMETMAP3K7
SCHEMBL25929685 0.83 MET (0.34) AXLMERTKEGFRFGFR1FGFR2
SCHEMBL25932088 0.83 PIK3CD (0.38) AXLMERTKEGFRFGFR1FGFR2
SCHEMBL25930865 0.83 MET (0.36) AXLMERTKEGFRFGFR1FGFR2
SCHEMBL25931674 0.83 EGFR (0.41) AXLMERTKEGFRFGFR1FGFR2
SCHEMBL25932040 0.83 MCHR1 (0.40) AXLMERTKEGFRFGFR1FGFR2
SCHEMBL25931226 0.82 LRRK2 (0.35) AXLMERTKEGFRMETMAP3K7
SCHEMBL25923430 0.80 MAPK1 (0.42) AXLMERTKEGFRFGFR1FGFR2
SCHEMBL25924724 0.80 MET (0.38) AXLMERTKEGFRGSK3BDYRK1A

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