SCHEMBL28513397

SCHEMBL28513397

COC(=O)c1ccc(-c2c[nH]c3ncc(Cl)cc23)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.55
NEK1 Q96PY6 5/20 0.51
SGK1 O00141 1/20 0.51
CAMKK2 Q96RR4 1/20 0.51
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
FRK P42685 1/20 0.42
CLK2 P49760 1/20 0.42
MAP4K2 Q12851 1/20 0.42
CAMK2B Q13554 1/20 0.42
CAMK2G Q13555 1/20 0.42
CAMK2D Q13557 1/20 0.42

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
SCHEMBL8941622 0.87 AXL (0.71) AXLSGK1CAMKK2JAK2PRKD3
SCHEMBL18797714 0.74 SLC40A1 (0.46) AXLNEK1KDRFLT3
SCHEMBL9936933 0.73 AXL (0.63) AXLJAK2MAP4K4LCKFYN
SCHEMBL858763 0.72 ALDH1A1 (0.43) AXLNEK1SGK1CAMKK2JAK2
SCHEMBL8940901 0.72 AXL (0.70) AXLSGK1CAMKK2JAK2PRKD3
SCHEMBL8940681 0.71 MAP3K11 (0.68) AXLSGK1CAMKK2JAK2PRKD3
SCHEMBL28502357 0.71 JAK2 (0.53) AXLJAK2CLK2CLK4CLK1
SCHEMBL17437990 0.70 ROCK2 (0.58)
SCHEMBL8940832 0.70 JAK2 (0.56) AXLSGK1CAMKK2JAK2PRKD3
SCHEMBL22574155 0.70 ERN1 (0.44)

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
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed