SCHEMBL578749

SCHEMBL578749

CC(C)NC(=O)C1CCCC1Nc1nc(Nc2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)ncc1Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.50
KDR P35968 3/20 0.50
AURKB Q96GD4 3/20 0.50
PTK2 Q05397 3/20 0.47
INSR P06213 4/20 0.47
ALK Q9UM73 4/20 0.47
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
AXL P30530 3/20 0.43
NTRK1 P04629 1/20 0.42

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
SCHEMBL578750 1.00 SYK (0.50) SYKKDRAURKBPTK2INSR
SCHEMBL579032 0.92 SYK (0.51) SYKAURKBPTK2JAK2JAK1
SCHEMBL579033 0.92 SYK (0.51) SYKAURKBPTK2JAK2JAK1
SCHEMBL578928 0.91 AURKA (0.53) SYKAURKBPTK2JAK2JAK1
SCHEMBL578929 0.91 AURKA (0.53) SYKAURKBPTK2JAK2JAK1
SCHEMBL578714 0.90 PTK2 (0.57) SYKPTK2ALKNTRK1
SCHEMBL12174633 0.90 PTK2 (0.57) SYKPTK2ALKNTRK1
SCHEMBL578672 0.90 PTK2 (0.57) SYKPTK2ALKNTRK1
SCHEMBL578671 0.90 PTK2 (0.57) SYKPTK2ALKNTRK1
SCHEMBL13808220 0.88 PTK2 (0.55) SYKPTK2ALKNTRK1

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