SCHEMBL30173298

SCHEMBL30173298

Fc1ccc(-c2cnc3[nH]ccc3c2Cl)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 8/20 0.49
PRKCI P41743 3/20 0.49
AXL P30530 2/20 0.49
DYRK1A Q13627 2/20 0.47
NUDT1 P36639 3/20 0.45
FLT3 P36888 2/20 0.43
JAK2 O60674 2/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
IGF1R P08069 1/20 0.43
MET P08581 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43

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
SCHEMBL28596894 1.00 RPS6KA3 (0.49) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL30173343 0.84 AXL (0.53) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL28598985 0.84 AXL (0.53) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL28596854 0.82 PRKCI (0.59) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL30173348 0.82 PRKCI (0.59) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL30173347 0.82 PRKCI (0.59) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL28606321 0.81 NUDT1 (0.68) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL30173337 0.81 NUDT1 (0.68) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL28603791 0.79 PRKCI (0.51) RPS6KA3PRKCIAXLDYRK1ANUDT1
SCHEMBL28602138 0.79 CCNK (0.49) RPS6KA3PRKCIAXLDYRK1ANUDT1

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