SCHEMBL18995069

SCHEMBL18995069

Nc1nc(Nc2ccc(OC3CC(O)C3)c(C(F)(F)F)c2)ncc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 8/20 0.44
▸ AURKA O14965 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ ULK2 Q8IYT8 2/20 0.41
▸ PTK2 Q05397 2/20 0.39
▸ STK17A Q9UEE5 2/20 0.39
▸ STK17B O94768 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ KIT P10721 3/20 0.38
▸ FLT3 P36888 3/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ SYK P43405 1/20 0.37

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
SCHEMBL18995012 0.88 BCL6 (0.43) STK17ASTK17BSYK
SCHEMBL19527725 0.86 TNIK (0.39) AURKAKDRAURKBSTK17ACDK1
SCHEMBL18994995 0.85 CHEK1 (0.49) ULK1AURKAKDRAURKBULK2
SCHEMBL19527748 0.84 TBK1 (0.37) ULK1FLT3SYK
SCHEMBL18995121 0.83 NPC1 (0.47) JAK2
SCHEMBL19836407 0.81 ULK1 (0.40) ULK1AURKAKDRAURKBULK2
SCHEMBL18994999 0.80 ULK1 (0.43) ULK1KDRULK2CDK1JAK2
SCHEMBL19836220 0.78 TBK1 (0.41) ULK1AURKAKDRAURKBULK2
SCHEMBL19836242 0.78 TBK1 (0.41) ULK1AURKAKDRAURKBULK2
SCHEMBL15337596 0.74 ULK1 (0.43) ULK1ULK2PTK2KITFLT3

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
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP disclosed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
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