SCHEMBL1633501

SCHEMBL1633501

O=C(c1ccc(Nc2ncc3c(Br)ccc(OC4CCNCC4)c3n2)cc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.51
JAK2 O60674 5/20 0.47
MAPK10 P53779 1/20 0.46
FLT3 P36888 1/20 0.44
BTK Q06187 1/20 0.43
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
CDK9 P50750 1/20 0.42
CDK3 Q00526 1/20 0.42
CDK6 Q00534 1/20 0.42
CDK5R1 Q15078 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
SCHEMBL1633497 0.90 MAPK10 (0.50) LRRK2JAK2MAPK10FLT3BTK
SCHEMBL1632952 0.90 LRRK2 (0.54) LRRK2JAK2MAPK10FLT3
SCHEMBL1632375 0.88 LRRK2 (0.51) LRRK2JAK2MAPK10
SCHEMBL1633361 0.88 FLT3 (0.52) LRRK2JAK2MAPK10FLT3
SCHEMBL1633643 0.87 CDK4 (0.51) LRRK2JAK2JAK1TYK2JAK3
SCHEMBL1632738 0.86 JAK2 (0.59) LRRK2JAK2MAPK10FLT3BTK
SCHEMBL1632510 0.85 IGF1R (0.51) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL13498322 0.84 LRRK2 (0.51) LRRK2JAK2MAPK10
SCHEMBL12764789 0.83 MAPK10 (0.48) LRRK2JAK2MAPK10BTKTBK1
SCHEMBL1634524 0.83 LRRK2 (0.47) LRRK2JAK2MAPK10TBK1

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