SCHEMBL1633561

SCHEMBL1633561

CN1CCC(Oc2cc3nc(Nc4cc(C(N)=O)cc(N5CCOCC5)c4)ncc3cc2-c2cn[nH]c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.42
JUN P05412 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
EPHB4 P54760 1/20 0.38
SYK P43405 3/20 0.38
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 1/20 0.37
CDK4 P11802 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCND3 P30281 2/20 0.37
CDK6 Q00534 2/20 0.37
EGFR P00533 2/20 0.36
RIPK2 O43353 1/20 0.36
TBK1 Q9UHD2 3/20 0.36
JAK3 P52333 2/20 0.36
BTK Q06187 2/20 0.36
JAK2 O60674 2/20 0.36

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
SCHEMBL1634531 0.92 SYK (0.47) JUNMAPK8MAPK10EPHB4SYK
SCHEMBL1633572 0.87 MAP4K1 (0.53) MAP4K1JUNMAPK8MAPK10CDK4
SCHEMBL1633457 0.86 EGFR (0.40) MAP4K1JUNMAPK8MAPK10EPHB4
SCHEMBL1633334 0.82 SYK (0.46) MAPK10EPHB4SYKRIPK2TBK1
SCHEMBL1633838 0.79 MAPK10 (0.51) MAP4K1JUNMAPK8MAPK10CDK4
SCHEMBL1571608 0.79 SYK (0.47) JUNMAPK8MAPK10EPHB4SYK
SCHEMBL1632182 0.79 MAP4K1 (0.49) MAP4K1SYKLCKKDRMAPK14
SCHEMBL1633459 0.79 SYK (0.46) JUNMAPK8MAPK10EPHB4SYK
SCHEMBL1634307 0.79 MAPK10 (0.55) MAP4K1JUNMAPK8MAPK10SYK
SCHEMBL12725070 0.78 MAP4K1 (0.47) MAP4K1SYKLCKKDRMAPK14

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 2 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