SCHEMBL25927872

SCHEMBL25927872

CCN1CCC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(-c5cnc(N6CCOCC6)c(C)c5)nc34)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 3/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
EGFR P00533 2/20 0.34
MAP3K5 Q99683 1/20 0.34
BRD4 O60885 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
PIK3CA P42336 3/20 0.33
MTOR P42345 2/20 0.33
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL25927780 0.93 JAK2 (0.37) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25931287 0.93 JAK2 (0.42) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25929408 0.93 JAK2 (0.36) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25929520 0.92 JAK2 (0.36) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25929941 0.91 FFAR2 (0.34) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25930865 0.91 MET (0.36) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25929685 0.91 MET (0.34) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25928954 0.89 MET (0.39) L3MBTL1METIRAK4BRD4AXL
SCHEMBL25932391 0.89 ADK (0.37) JAK2ABL1JAK1TYK2JAK3
SCHEMBL25932661 0.89 ABL1 (0.38) JAK2ABL1JAK1TYK2JAK3

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