SCHEMBL2313622

SCHEMBL2313622

CC(C)n1cnc2c(NC(O)Cc3ccc(O)cc3)nc(-c3cncc(F)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.44
▸ CCNB2 O95067 6/20 0.43
▸ CDK1 P06493 6/20 0.43
▸ CCNB1 P14635 6/20 0.43
▸ CCNB3 Q8WWL7 6/20 0.43
▸ CDK5 Q00535 12/20 0.41
▸ CDK5R1 Q15078 12/20 0.41
▸ CDK2 P24941 10/20 0.41
▸ CCNA2 P20248 6/20 0.41
▸ CCNA1 P78396 6/20 0.41
▸ DYRK1A Q13627 6/20 0.41
▸ CCNE1 P24864 3/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CCNE2 O96020 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CCNH P51946 1/20 0.39

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
SCHEMBL2315103 0.85 AHR (0.58) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL2313618 0.82 CDK1 (0.47) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL24966401 0.79 CDK5 (0.42) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL2315311 0.78 AHR (0.51) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL2312171 0.78 CDK2 (0.46) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL21754116 0.76 CDK2 (0.38) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL15013506 0.75 AHR (0.59) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL21016789 0.75 AHR (0.59) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL2314403 0.75 AHR (0.59) AHRCCNB2CDK1CCNB1CCNB3
SCHEMBL3242817 0.75 ITGB1 (0.46) AHRCCNB2CDK1CCNB1CCNB3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350078-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2011-08-03 — — EP claimed
WO-2010059401-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-05-27 — — WO claimed
EP-2788476-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS Fred Hutchinson Cancer Research Center (US) 2014-10-15 — — EP disclosed
WO-2013086436-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2013-06-13 — — WO disclosed
EP-2350078-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2011-08-03 — — EP disclosed
WO-2010059401-A2 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-05-27 — — WO disclosed
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