SCHEMBL1021392

SCHEMBL1021392

CC(C)(C)N(CC1CCN(c2nc(Cl)nc3[nH]cnc23)CC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
FLT4 P35916 1/20 0.32
CSNK2A1 P68400 1/20 0.32
PRKCD Q05655 1/20 0.32
PAK1 Q13153 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
LRRK2 Q5S007 1/20 0.31
JAK3 P52333 2/20 0.31
JAK2 O60674 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31

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
SCHEMBL4304311 0.82 JAK3 (0.36) JAK3JAK2
SCHEMBL4304305 0.80 CKS1B (0.38) CKS1BSKP1SKP2
SCHEMBL12082491 0.78 CKS1B (0.49) SIRT2SIRT1SIRT3JAK2CKS1B
SCHEMBL1018735 0.78 ABL1 (0.46)
SCHEMBL1018117 0.78 CNR2 (0.39) SIRT2SIRT1SIRT3CKS1BSKP1
SCHEMBL27930642 0.77 PIK3CD (0.43) JAK3JAK2
SCHEMBL1021391 0.76 RAF1 (0.32) PIM1CDK2FLT4CSNK2A1PRKCD
SCHEMBL14183756 0.75 GRM2 (0.46)
SCHEMBL1018020 0.74 ROCK2 (0.37) CKS1BSKP1SKP2
SCHEMBL3876920 0.72 KIT (0.45) CDK2CKS1BSKP1SKP2

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
EP-2271631-A2 INHIBITORS OF PROTEIN KINASES Portola Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed