SCHEMBL13961207

SCHEMBL13961207

O=C(NC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc5occc5c4)cnc23)cs1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 18/20 0.70
▸ ULK1 O75385 2/20 0.55
▸ ULK2 Q8IYT8 2/20 0.55
▸ MKNK2 Q9HBH9 1/20 0.55
▸ STK17A Q9UEE5 1/20 0.55
▸ SGK1 O00141 2/20 0.53
▸ PIK3CD O00329 2/20 0.53
▸ CHEK1 O14757 2/20 0.53
▸ MAPK13 O15264 2/20 0.53
▸ PDPK1 O15530 2/20 0.53
▸ NUAK1 O60285 2/20 0.53
▸ CCNT1 O60563 2/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ ROCK2 O75116 2/20 0.53
▸ CHEK2 O96017 2/20 0.53
▸ EGFR P00533 2/20 0.53
▸ RAF1 P04049 2/20 0.53
▸ NTRK1 P04629 2/20 0.53
▸ LCK P06239 2/20 0.53
▸ CSF1R P07333 2/20 0.53

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
SCHEMBL3766796 0.89 MARK3 (0.88) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL13961208 0.82 MARK3 (0.59) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL3754830 0.73 MARK3 (0.71) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL3767768 0.72 MARK3 (0.88) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL3768925 0.71 MARK3 (0.77) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL3769003 0.71 MARK3 (0.73) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL3762989 0.71 MARK3 (0.72) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL3762982 0.71 MARK3 (1.00) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL25395801 0.71 ULK1 (1.00) MARK3ULK1ULK2MKNK2STK17A
SCHEMBL3759865 0.71 MARK3 (0.71) MARK3ULK1ULK2MKNK2STK17A

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-2009014620-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES MERCK & CO., INC. (US) 2009-01-29 — — WO disclosed
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