SCHEMBL579032

SCHEMBL579032

Cc1cnc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)nc1NC1CCCC1C(=O)NC(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.51
PTK2 Q05397 2/20 0.44
BRD4 O60885 4/20 0.44
IGF1R P08069 1/20 0.43
JAK2 O60674 7/20 0.42
JAK1 P23458 7/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
LCK P06239 1/20 0.42
JAK3 P52333 1/20 0.42
PTK2B Q14289 1/20 0.41

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
SCHEMBL579033 1.00 SYK (0.51) SYKPTK2BRD4IGF1RJAK2
SCHEMBL578928 0.92 AURKA (0.53) SYKPTK2IGF1RJAK2JAK1
SCHEMBL578750 0.92 SYK (0.50) SYKPTK2JAK2JAK1AURKB
SCHEMBL578929 0.92 AURKA (0.53) SYKPTK2IGF1RJAK2JAK1
SCHEMBL578749 0.92 SYK (0.50) SYKPTK2JAK2JAK1AURKB
SCHEMBL578672 0.90 PTK2 (0.57) SYKPTK2IGF1RAURKAJAK3
SCHEMBL12174633 0.90 PTK2 (0.57) SYKPTK2IGF1RAURKAJAK3
SCHEMBL578671 0.90 PTK2 (0.57) SYKPTK2IGF1RAURKAJAK3
SCHEMBL578714 0.90 PTK2 (0.57) SYKPTK2IGF1RAURKAJAK3
SCHEMBL13808220 0.89 PTK2 (0.55) SYKPTK2IGF1RAURKAJAK3

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-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP claimed
EP-2027107-B1 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed