SCHEMBL1633408

SCHEMBL1633408

CC(C)N1CCC(Oc2cc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3cc2-c2nccs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.47
JUN P05412 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK4 P11802 7/20 0.43
CCND1 P24385 6/20 0.43
CDK2 P24941 4/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
CCNE1 P24864 3/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
EGFR P00533 1/20 0.43
LRRK2 Q5S007 2/20 0.41
IGF1R P08069 1/20 0.41
AURKA O14965 1/20 0.41
JAK2 O60674 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
FGFR1 P11362 2/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL1633430 0.92 MAPK10 (0.48) MAPK10JUNMAPK8CDK4CCND1
SCHEMBL1633436 0.89 MAPK10 (0.50) MAPK10JUNMAPK8CDK4CCND1
SCHEMBL1633276 0.88 EGFR (0.50) MAPK10JUNMAPK8CDK4CCND1
SCHEMBL1632436 0.85 CDK4 (0.47) MAPK10JUNMAPK8CDK4CCND1
SCHEMBL1868218 0.85 MAPK10 (0.53) MAPK10JUNMAPK8CDK4CCND1
SCHEMBL1634946 0.84 STK17A (0.45) CYP1A2AURKAJAK2TBK1MYLK4
SCHEMBL1632467 0.84 IGF1R (0.49) MAPK10CDK4CCND1CDK2CDK1
SCHEMBL1633838 0.84 MAPK10 (0.51) MAPK10JUNMAPK8CDK4CCND1
SCHEMBL13336221 0.81 MAP4K1 (0.42) EGFRIGF1RJAK2FGFR1PDGFRB
SCHEMBL1633457 0.80 EGFR (0.40) MAPK10JUNMAPK8CDK4CDK2

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