SCHEMBL25926294

SCHEMBL25926294

Cc1cc(-c2cnc3c(n2)c(-c2cnn(C4CCN(C)CC4)c2)cn3S(=O)(=O)c2ccccc2)cc(C)c1N1C2COCC1C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.37
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
MAP3K7 O43318 4/20 0.35
TAB1 Q15750 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
MAP4K1 Q92918 1/20 0.34
BRD4 O60885 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
SCHEMBL25930075 0.80 EGFR (0.35) EGFRFGFR1FGFR2FGFR3MAP3K7
SCHEMBL25925229 0.79 EGFR (0.39) EGFRMAP3K7TAB1MAP4K1
SCHEMBL25932088 0.78 PIK3CD (0.38) EGFRFGFR1FGFR2FGFR3
SCHEMBL25922675 0.78 MAPK1 (0.43) EGFRFGFR1FGFR2FGFR3IRAK4
SCHEMBL25926617 0.76 JAK2 (0.36) EGFRFGFR1FGFR2FGFR3MAP3K7
SCHEMBL25927872 0.76 JAK2 (0.38) EGFRMAP3K7TAB1IRAK4BRD4
SCHEMBL25931226 0.75 LRRK2 (0.35) EGFRMAP3K7TAB1IRAK4BRD4
SCHEMBL25929255 0.74 EGFR (0.36) EGFRMAP3K7TAB1BRD4
SCHEMBL25932661 0.74 ABL1 (0.38) EGFRMAP3K7TAB1MAP4K1
SCHEMBL25932040 0.73 MCHR1 (0.40) EGFRFGFR1FGFR2FGFR3MAP3K7

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