SCHEMBL17708385

SCHEMBL17708385

COc1cc(-n2nnnc2C)c(F)c(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.43
KCNN4 O15554 8/20 0.40
ALDH1A1 P00352 4/20 0.37
NOTUM Q6P988 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GALR3 O60755 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL18066884 0.84 LRRK2 (0.39) LRRK2KCNN4ALDH1A1NOTUML3MBTL1
SCHEMBL17708101 0.84 LRRK2 (0.41) LRRK2KCNN4ALDH1A1NOTUM
SCHEMBL19836365 0.78 LRRK2 (0.40) LRRK2KCNN4ALDH1A1NOTUM
SCHEMBL15651468 0.78 LRRK2 (0.47) LRRK2KCNN4ALDH1A1NOTUML3MBTL1
SCHEMBL15337425 0.77 ALDH1A1 (0.36) LRRK2KCNN4ALDH1A1NOTUMKMT2A
SCHEMBL15337423 0.77 NOTUM (0.40) LRRK2KCNN4ALDH1A1NOTUMMEN1
SCHEMBL15786417 0.73 KMT2A (0.55) KCNN4ALDH1A1MEN1KMT2ALMNA
SCHEMBL18066891 0.73 USP2 (0.38) LRRK2KCNN4ALDH1A1KMT2ALMNA
SCHEMBL18066921 0.73 TACR1 (0.42) KCNN4ALDH1A1NOTUML3MBTL1MEN1
SCHEMBL17708099 0.73 CA1 (0.38) LRRK2KCNN4ALDH1A1NOTUMKMT2A

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
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed