SCHEMBL18994999

SCHEMBL18994999

Nc1nc(Nc2ccc(OC3CCN(C4COC4)CC3)c(C(F)(F)F)c2)ncc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.43
▸ TBK1 Q9UHD2 12/20 0.43
▸ JAK2 O60674 3/20 0.41
▸ EGFR P00533 2/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ ITK Q08881 1/20 0.39
▸ ULK2 Q8IYT8 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL18994995 0.83 CHEK1 (0.49) ULK1JAK2CDK1ULK2KDR
SCHEMBL18995069 0.80 ULK1 (0.44) ULK1JAK2CDK1ULK2KDR
SCHEMBL15337703 0.79 ULK1 (0.41) ULK1EGFRLRRK2ITKULK2
SCHEMBL15337510 0.79 ULK1 (0.41) ULK1EGFRLRRK2ITKULK2
SCHEMBL17694845 0.76 TBK1 (0.34) TBK1JAK2EGFRATR
SCHEMBL15321629 0.76 SYK (0.47) ATR
SCHEMBL19836242 0.74 TBK1 (0.41) ULK1TBK1LRRK2CDK1ULK2
SCHEMBL19836220 0.74 TBK1 (0.41) ULK1TBK1LRRK2CDK1ULK2
SCHEMBL19836407 0.73 ULK1 (0.40) ULK1CDK1ULK2KDR
SCHEMBL15790797 0.72 SYK (0.51) ULK1JAK2

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
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
Send feedback