SCHEMBL1634295

SCHEMBL1634295

O=S(=O)(c1ccc(Nc2ncc3ccc(OC4CCN(CC(F)F)CC4)cc3n2)cc1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
MERTK Q12866 2/20 0.43
AXL P30530 2/20 0.43
TYRO3 Q06418 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
CDK2 P24941 3/20 0.40
CCNT1 O60563 2/20 0.40
CCNA2 P20248 2/20 0.40
CDK9 P50750 2/20 0.40
CCNA1 P78396 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
IKBKB O14920 1/20 0.39

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
SCHEMBL1632419 0.90 IGF1R (0.44) IGF1RMERTKAXLTYRO3POLB
SCHEMBL1634287 0.87 IGF1R (0.47) IGF1RMERTKAXLTYRO3TSHR
SCHEMBL1632322 0.87 HRH3 (0.47) IGF1RMERTKAXLTYRO3TSHR
SCHEMBL1633516 0.86 IGF1R (0.49) IGF1RMERTKAXLTYRO3CDK2
SCHEMBL1634653 0.83 MERTK (0.48) IGF1RMERTKAXLTYRO3
SCHEMBL1633172 0.80 KDM4E (0.59) IGF1RMERTKAXLTYRO3TSHR
SCHEMBL1632893 0.79 MERTK (0.49) IGF1RMERTKAXLTYRO3TSHR
SCHEMBL1632410 0.75 MERTK (0.52) IGF1RMERTKAXLTYRO3CDK2
SCHEMBL1633106 0.75 IKBKB (0.49) CDK2CCNA2CCNA1IKBKBCCNE1
SCHEMBL1632946 0.75 IKBKB (0.45) CDK2CCNT1CCNA2CDK9CCNA1

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