SCHEMBL19788293

SCHEMBL19788293

CC(C)(CCC(C)(C)c1c[nH]c2ncncc12)c1ccnc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
CDK2 P24941 1/20 0.38
NUDT1 P36639 4/20 0.37
PRKCI P41743 3/20 0.37
AXL P30530 1/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
AURKB Q96GD4 3/20 0.36
AURKA O14965 2/20 0.36
INCENP Q9NQS7 2/20 0.36
TPX2 Q9ULW0 2/20 0.36
LATS1 O95835 2/20 0.36
LATS2 Q9NRM7 1/20 0.35
PRKACA P17612 2/20 0.35
PRKCQ Q04759 2/20 0.35
ROCK1 Q13464 2/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL24001454 0.80 LATS1 (0.38) LATS1
SCHEMBL19286544 0.77 PRKCI (0.46) IGF1RDYRK1BNUDT1PRKCIAXL
SCHEMBL12915020 0.73 PRKCI (0.49) IGF1RDYRK1BNUDT1PRKCIAXL
SCHEMBL13249593 0.73 RPS6KA5 (0.42) AXLLATS1
SCHEMBL29938802 0.72 PRKCI (0.50) IGF1RDYRK1BNUDT1PRKCIAXL
SCHEMBL179480 0.71 PRKCI (0.53) IGF1RDYRK1BNUDT1PRKCIAXL
SCHEMBL10298661 0.69 PRKCI (0.47) IGF1RDYRK1BNUDT1PRKCIAXL
SCHEMBL20048870 0.69 GPR84 (0.49) CDK2AXLJAK3LATS1LATS2
SCHEMBL20857371 0.68 NUDT1 (0.39) IGF1RDYRK1BCDK2NUDT1PRKCI
SCHEMBL20110128 0.67 GPR84 (0.50) CDK2AXLJAK3PRKACAROCK1

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-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed