SCHEMBL1634987

SCHEMBL1634987

Cc1cc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc2cc1OC1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.50
LRRK2 Q5S007 16/20 0.49
JAK2 O60674 1/20 0.49
CCNT1 O60563 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNA2 P20248 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CCND3 P30281 1/20 0.45
CDK9 P50750 1/20 0.45
CDK3 Q00526 1/20 0.45
CDK6 Q00534 1/20 0.45
CDK5R1 Q15078 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
ALK Q9UM73 1/20 0.44

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
SCHEMBL1633627 0.90 LRRK2 (0.49) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL1633770 0.88 TBK1 (0.52) LRRK2JAK2
SCHEMBL12725013 0.88 LRRK2 (0.46) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL1633015 0.87 CDK4 (0.51) MAPK10LRRK2JAK2CDK1CDK4
SCHEMBL1636472 0.86 LRRK2 (0.49) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL1633497 0.85 MAPK10 (0.50) MAPK10LRRK2JAK2CDK4CCNA2
SCHEMBL1633941 0.85 LRRK2 (0.43) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL13498322 0.84 LRRK2 (0.51) MAPK10LRRK2JAK2
SCHEMBL1632738 0.84 JAK2 (0.59) MAPK10LRRK2JAK2CCNT1CDK1
SCHEMBL1633593 0.82 MAPK10 (0.46) MAPK10LRRK2JAK2CCNT1CDK1

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