SCHEMBL30173273

SCHEMBL30173273

FC(F)(F)Sc1ccc(-c2cnc3[nH]ccc3c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.46
AXL P30530 2/20 0.46
JAK2 O60674 3/20 0.38
JAK3 P52333 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
RPS6KA3 P51812 5/20 0.36
IKBKB O14920 3/20 0.35
CHUK O15111 3/20 0.35
AURKB Q96GD4 2/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL28596900 0.82 AXL (0.49) PRKCIAXLJAK2JAK3JAK1
SCHEMBL30173331 0.82 AXL (0.49) PRKCIAXLJAK2JAK3JAK1
SCHEMBL28598985 0.80 AXL (0.53) PRKCIAXLJAK2JAK3RPS6KA3
SCHEMBL30173343 0.80 AXL (0.53) PRKCIAXLJAK2JAK3RPS6KA3
SCHEMBL30173309 0.80 TTBK1 (0.51) PRKCIAXLJAK2JAK3JAK1
SCHEMBL30173307 0.80 TTBK1 (0.51) PRKCIAXLJAK2JAK3JAK1
SCHEMBL28596880 0.80 TTBK1 (0.51) PRKCIAXLJAK2JAK3JAK1
SCHEMBL858138 0.80 IKBKB (0.59) PRKCIJAK2JAK3RPS6KA3IKBKB
SCHEMBL30173316 0.77 AXL (0.61) PRKCIAXLJAK2JAK3RPS6KA3
SCHEMBL28609163 0.77 AXL (0.61) PRKCIAXLJAK2JAK3RPS6KA3

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-113200983-B Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2023-01-03 CN disclosed