SCHEMBL18995181

SCHEMBL18995181

CC1CN(c2ccc(Nc3ncc(F)c(N)n3)cc2OC(F)F)CC(C)O1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.47
▸ CDK4 P11802 6/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ CDK6 Q00534 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ CCNB1 P14635 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ MAP3K12 Q12852 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
SCHEMBL19527697 0.84 SYK (0.48) LRRK2CDK4CSF1RCDK6CCNE1
SCHEMBL15321208 0.77 LRRK2 (0.40) LRRK2CDK4CSF1RCDK1CCNB1
SCHEMBL19527748 0.73 TBK1 (0.37) FLT3
SCHEMBL19527683 0.71 SYK (0.47) —
SCHEMBL17708402 0.70 ALDH1A1 (0.43) MEN1KMT2A
SCHEMBL15244358 0.69 FGFR3 (0.74) —
SCHEMBL2551874 0.69 CSF1R (0.56) CDK4CSF1RCDK6CCNE1CDK2
SCHEMBL3497587 0.68 PRKCQ (0.50) LRRK2CSF1RCDK1CDK2FLT3
SCHEMBL17708146 0.68 ALDH1A1 (0.42) MEN1KMT2APIK3CAMTOR
SCHEMBL3494976 0.67 PRKCQ (0.49) LRRK2CSF1RCDK1CDK2FLT3

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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