SCHEMBL25924718

SCHEMBL25924718

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cn(S(=O)(=O)c4ccccc4)c4ncc(Br)nc34)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 1/20 0.49
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
MET P08581 4/20 0.45
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
TTK P33981 2/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
HTR6 P50406 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
MAP3K7 O43318 3/20 0.40
TAB1 Q15750 3/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40

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
SCHEMBL25924807 0.88 TNK2 (0.46) TNK2JAK2JAK3PTK2MET
SCHEMBL25925229 0.85 EGFR (0.39) METEGFRHTR6MAP3K7TAB1
SCHEMBL25924724 0.83 MET (0.38) METEGFRHTR6MAP3K7TAB1
SCHEMBL25924720 0.83 CYP1A2 (0.48) JAK2METMAP3K7TAB1
SCHEMBL24723202 0.82 MET (0.48) TNK2JAK2JAK3PTK2MET
SCHEMBL16698398 0.79 MET (0.48) TNK2JAK2JAK3PTK2MET
SCHEMBL16268256 0.79 MET (0.52) TNK2JAK2JAK3PTK2MET
SCHEMBL30934901 0.78 DYRK1A (0.40) TNK2JAK2JAK3PTK2MET
SCHEMBL16267900 0.78 MET (0.48) TNK2JAK2JAK3PTK2MET
SCHEMBL2283400 0.76 PDPK1 (0.42) CCNCCDK8HTR6FGFR1

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