SCHEMBL25930808

SCHEMBL25930808

CCN1CCC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(-c5cnc(N6CCOC(C)(C)C6)c(C)c5)cc34)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.37
BRD4 O60885 5/20 0.36
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
MAP3K7 O43318 6/20 0.34
TAB1 Q15750 6/20 0.34
FFAR2 O15552 3/20 0.34
PTPN11 Q06124 1/20 0.34
PAK1 Q13153 1/20 0.32
JAK1 P23458 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
SCHEMBL25928954 0.91 MET (0.39) METBRD4AXLMERTKMAP3K7
SCHEMBL25929941 0.90 FFAR2 (0.34) METBRD4AXLMERTKMAP3K7
SCHEMBL25927465 0.82 MET (0.39) METBRD4AXLMERTKMAP3K7
SCHEMBL25931437 0.82 KHK (0.35) METAXLMERTKMAP3K7TAB1
SCHEMBL25929297 0.80 HTR6 (0.40) METBRD4AXLMERTKMAP3K7
SCHEMBL25927872 0.80 JAK2 (0.38) METBRD4AXLMERTKMAP3K7
SCHEMBL25923438 0.79 PDPK1 (0.44) METPAK1
SCHEMBL25928430 0.79 MET (0.37) METBRD4AXLMERTKMAP3K7
SCHEMBL25924810 0.79 MET (0.40) METBRD4AXLMERTKMAP3K7
SCHEMBL25930106 0.78 MET (0.37) METBRD4AXLMERTKMAP3K7

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