SCHEMBL25927465

SCHEMBL25927465

CCN1CCC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(-c5cnc(C6CCOCC6)c(C)c5)cc34)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.39
BRD4 O60885 8/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
PTPN11 Q06124 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAP3K7 O43318 3/20 0.35
TAB1 Q15750 3/20 0.35
PDPK1 O15530 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 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
SCHEMBL25928954 0.89 MET (0.39) METBRD4AXLMERTKPTPN11
SCHEMBL25927369 0.87 BRD4 (0.37) METBRD4AXLMERTKPTPN11
SCHEMBL25930808 0.82 MET (0.37) METBRD4AXLMERTKPTPN11
SCHEMBL25928430 0.82 MET (0.37) METBRD4AXLMERTKPTPN11
SCHEMBL25927636 0.82 JAK2 (0.35) METBRD4AXLMERTKIRAK4
SCHEMBL25924810 0.82 MET (0.40) METBRD4AXLMERTKMAP3K7
SCHEMBL25930106 0.82 MET (0.37) METBRD4AXLMERTKPTPN11
SCHEMBL25929297 0.79 HTR6 (0.40) METBRD4AXLMERTKPTPN11
SCHEMBL25922895 0.78 MAPK8 (0.46) METIRAK4PDPK1PIK3CDPIK3CA
SCHEMBL25927872 0.78 JAK2 (0.38) METBRD4AXLMERTKIRAK4

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