SCHEMBL25924810

SCHEMBL25924810

CCN1CCC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)cc34)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
HTR6 P50406 5/20 0.39
MAP3K7 O43318 5/20 0.38
TAB1 Q15750 5/20 0.38
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
BRD4 O60885 2/20 0.37
JAK1 P23458 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
DRD3 P35462 2/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL25924724 0.86 MET (0.38) METHTR6MAP3K7TAB1AXL
SCHEMBL25924808 0.86 CYP1A2 (0.48) METMAP3K7TAB1
SCHEMBL24723109 0.85 MET (0.38) METHTR6MAP3K7TAB1AXL
SCHEMBL25924807 0.83 TNK2 (0.46) METHTR6MAP3K7TAB1FGFR1
SCHEMBL25929297 0.82 HTR6 (0.40) METHTR6MAP3K7TAB1AXL
SCHEMBL25928954 0.82 MET (0.39) METMAP3K7TAB1AXLMERTK
SCHEMBL25927465 0.82 MET (0.39) METMAP3K7TAB1AXLMERTK
SCHEMBL25930204 0.81 GSK3B (0.40) METMAP3K7TAB1AXLMERTK
SCHEMBL2752683 0.81 PDPK1 (0.47) HTR6AXLBRD4GSK3BDYRK1A
SCHEMBL24723287 0.80 CYP3A4 (0.46) HTR6MAP3K7TAB1BRD4JAK1

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