SCHEMBL30171204

SCHEMBL30171204

CC(C)(C)c1c(Nc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C(F)(F)F)cccc1S(N)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.59
MERTK Q12866 2/20 0.59
BRD4 O60885 7/20 0.53
JAK3 P52333 7/20 0.53
JAK2 O60674 6/20 0.53
BRDT Q58F21 2/20 0.53
BRD2 P25440 1/20 0.53
BRD3 Q15059 1/20 0.53
JAK1 P23458 5/20 0.52
FGFR1 P11362 3/20 0.52
PTK2 Q05397 3/20 0.52
EGFR P00533 3/20 0.52
RET P07949 2/20 0.52
TYK2 P29597 2/20 0.52
FLT3 P36888 2/20 0.52
LCK P06239 2/20 0.52
KDR P35968 2/20 0.52
TEK Q02763 2/20 0.52
BTK Q06187 2/20 0.52
TNK2 Q07912 2/20 0.52

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
SCHEMBL2731745 0.90 JAK3 (0.65) AXLMERTKBRD4JAK3JAK2
SCHEMBL30427133 0.90 JAK3 (0.65) AXLMERTKBRD4JAK3JAK2
SCHEMBL2723335 0.77 JAK3 (0.61) AXLMERTKBRD4JAK3JAK2
Hydrochloric Acid SCHEMBL2730396 0.76 JAK3 (0.59) AXLMERTKBRD4JAK3JAK2
SCHEMBL21460538 0.74 AXL (0.56) AXLMERTKBRD4JAK3JAK2
SCHEMBL1035893 0.73 GLO1 (0.68) AXLMERTKBRD4JAK3JAK2
SCHEMBL30171152 0.73 LMNA (0.41) PTK2KDRROCK2ULK1CDK7
SCHEMBL30381504 0.72 JAK3 (0.79) AXLMERTKBRD4JAK3JAK2
SCHEMBL21460562 0.72 AXL (0.49) AXLMERTKBRD4JAK3JAK2
SCHEMBL12726404 0.72 GLO1 (0.67) AXLMERTKBRD4JAK3JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745896-B JAK2 kinase selective inhibitor and preparation method and application thereof 合肥医工医药股份有限公司 2024-08-06 CN disclosed
CN-115745896-A JAK2 kinase selective inhibitor and preparation method and application thereof 合肥医工医药股份有限公司 2023-03-07 CN disclosed