SCHEMBL10013786

SCHEMBL10013786

Cc1cnc(C)c(-c2cccc3c2ccn3C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
PIM1 P11309 1/20 0.39
MARK3 P27448 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CAMK2B Q13554 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
AKT1 P31749 1/20 0.38
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.35
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
BUB1 O43683 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10013796 0.89 L3MBTL1 (0.40) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL10013791 0.87 AKT1 (0.37) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL18443391 0.76 BRD4 (0.43) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL424580 0.75 L3MBTL1 (0.48) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL10013761 0.75 AKT1 (0.36) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL28988634 0.75 HSP90AA1 (0.47) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL2878283 0.74 SCN9A (0.44) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL30285064 0.74 KMT2A (0.46) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL3836430 0.73 L3MBTL1 (0.45) L3MBTL1BRD4CREBBPPIM1MARK3
SCHEMBL18487086 0.73 L3MBTL1 (0.45) L3MBTL1BRD4CREBBPPIM1MARK3

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-8168833-B2 Schwartz reagents: methods of in situ generation and use QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-05-01 US disclosed