SCHEMBL1633928

SCHEMBL1633928

O=C(c1ccc(Nc2ncc3cccc(-c4ccc(NCCN5CCCC5)nc4)c3n2)cc1)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.69
NTRK1 P04629 1/20 0.48
JAK2 O60674 4/20 0.46
LRRK2 Q5S007 1/20 0.46
JUN P05412 3/20 0.45
MAPK8 P45983 3/20 0.45
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK3 Q00526 1/20 0.44
CDK6 Q00534 1/20 0.44
CDK5R1 Q15078 1/20 0.44
FGFR2 P21802 1/20 0.43
BRAF P15056 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
SCHEMBL13498339 0.90 MAPK10 (0.72) MAPK10NTRK1JAK2LRRK2JUN
SCHEMBL1633488 0.88 MAPK10 (0.56) MAPK10NTRK1JAK2JUNMAPK8
SCHEMBL1631590 0.86 MAPK10 (0.50) MAPK10JUNMAPK8CDK2CCNE1
SCHEMBL1632887 0.84 MAPK10 (0.48) MAPK10JUNMAPK8FGFR2
SCHEMBL1632822 0.84 MAPK10 (0.49) MAPK10JAK2JUNMAPK8FGFR2
SCHEMBL1634890 0.84 MAPK10 (0.47) MAPK10JAK2JUNMAPK8CDK1
SCHEMBL1632441 0.84 MAPK10 (0.48) MAPK10JAK2JUNMAPK8FGFR2
SCHEMBL1634397 0.84 MAPK10 (0.59) MAPK10JAK2JUNMAPK8FGFR2
SCHEMBL1633503 0.84 MAPK10 (0.47) MAPK10JAK2JUNMAPK8CDK1
SCHEMBL1633121 0.83 MAPK10 (0.52) MAPK10NTRK1JAK2JUNMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed