SCHEMBL25928430

SCHEMBL25928430

CCc1nc(-c2cnc3c(c2)c(-c2cnn(C4CCN(CC)CC4)c2)cn3S(=O)(=O)c2ccccc2)cc(C)c1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.37
BRD4 O60885 6/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
MAP3K7 O43318 4/20 0.34
TAB1 Q15750 4/20 0.34
PIK3CA P42336 2/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
JAK1 P23458 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
PTPN11 Q06124 1/20 0.33
HTR6 P50406 1/20 0.33
MAP3K5 Q99683 1/20 0.33
AKT1 P31749 1/20 0.32
MTOR P42345 1/20 0.32

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 0.87 MET (0.39) METBRD4IRAK4MAP3K7TAB1
SCHEMBL25927369 0.86 BRD4 (0.37) METBRD4IRAK4MAP3K7TAB1
SCHEMBL25930106 0.85 MET (0.37) METBRD4MAP3K7TAB1PIK3CA
SCHEMBL25927465 0.82 MET (0.39) METBRD4IRAK4MAP3K7TAB1
SCHEMBL25927872 0.82 JAK2 (0.38) METBRD4IRAK4MAP3K7TAB1
SCHEMBL25927780 0.80 JAK2 (0.37) METBRD4MAP3K7TAB1PIK3CA
SCHEMBL25923119 0.79 PDPK1 (0.45) METIRAK4PIK3CA
SCHEMBL25930808 0.79 MET (0.37) METBRD4MAP3K7TAB1AXL
SCHEMBL25924810 0.79 MET (0.40) METBRD4MAP3K7TAB1AXL
SCHEMBL25932661 0.78 ABL1 (0.38) METMAP3K7TAB1PIK3CAJAK1

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