SCHEMBL25929520

SCHEMBL25929520

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.36
JAK1 P23458 5/20 0.36
TYK2 P29597 4/20 0.36
JAK3 P52333 4/20 0.36
ABL1 P00519 1/20 0.36
BRD4 O60885 1/20 0.35
GAK O14976 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
MET P08581 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
TTK P33981 1/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 1/20 0.34
FGFR1 P11362 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 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
SCHEMBL25929553 0.93 BRD4 (0.36) BRD4METAXLMERTKTTK
SCHEMBL25927872 0.92 JAK2 (0.38) JAK2JAK1TYK2JAK3ABL1
SCHEMBL25927780 0.92 JAK2 (0.37) JAK2JAK1TYK2JAK3ABL1
SCHEMBL25929408 0.91 JAK2 (0.36) JAK2JAK1TYK2JAK3ABL1
SCHEMBL25931287 0.91 JAK2 (0.42) JAK2JAK1TYK2JAK3ABL1
SCHEMBL25932391 0.87 ADK (0.37) JAK2JAK1TYK2JAK3ABL1
SCHEMBL25932661 0.87 ABL1 (0.38) JAK2JAK1TYK2JAK3ABL1
SCHEMBL25929255 0.84 EGFR (0.36) JAK1BRD4ALDH1A1METAXL
SCHEMBL25927636 0.84 JAK2 (0.35) JAK2JAK1TYK2JAK3ABL1
SCHEMBL25933050 0.83 JAK1 (0.34) JAK2JAK1TYK2JAK3ABL1

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