SCHEMBL6505288

SCHEMBL6505288

CC(=O)N(C(=O)C1CCNCC1)c1cc(-c2cccc(Nc3ccccc3)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 3/20 0.49
▸ PIP5K1C O60331 11/20 0.48
▸ PIK3CA P42336 10/20 0.48
▸ PIP5K1B O14986 3/20 0.45
▸ PIP5K1A Q99755 3/20 0.45
▸ PIK3CD O00329 2/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ PI4KA P42356 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ PDK1 Q15118 2/20 0.45
▸ PI4KB Q9UBF8 2/20 0.45
▸ ACVRL1 P37023 1/20 0.45
▸ MAPK8 P45983 5/20 0.45
▸ MAPK10 P53779 5/20 0.45
▸ SYK P43405 1/20 0.44
▸ MAPK14 Q16539 3/20 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
SCHEMBL6830052 0.90 MAPK10 (0.54) BUB1PIP5K1CPIK3CAPIP5K1BPIP5K1A
SCHEMBL5813702 0.80 MAPK10 (0.51) BUB1PIP5K1CPIK3CAPIP5K1BPIP5K1A
SCHEMBL5813438 0.80 MAPK10 (0.51) BUB1PIP5K1CPIK3CAPIP5K1BPIP5K1A
SCHEMBL6830651 0.75 MAPK10 (0.52) BUB1PIP5K1CPIK3CAMAPK8MAPK10
SCHEMBL5814740 0.75 MAPK10 (0.49) BUB1PIP5K1CPIK3CAPIP5K1BPIP5K1A
SCHEMBL1519020 0.72 MAPK10 (0.76) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL5814782 0.71 MAPK10 (0.52) BUB1PIP5K1CPIK3CAMAPK8MAPK10
SCHEMBL6505284 0.69 MAPK10 (0.88) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6507708 0.66 PIP5K1C (0.63) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL17631671 0.65 USP30 (0.41) —

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
WO-2005003123-A1 NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS ASTRAZENECA AB (SE) 2005-01-13 — — WO claimed
WO-2005003123-A1 NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS ASTRAZENECA AB (SE) 2005-01-13 — — WO disclosed
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