SCHEMBL1662908

SCHEMBL1662908

OCCn1cc(CC(F)(F)F)nc1C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.34
RPS6KB1 P23443 4/20 0.33
AKT1 P31749 4/20 0.33
PRKCB P05771 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
PLAT P00750 2/20 0.31
HTR2C P28335 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KHK P50053 1/20 0.30

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
Hydrochloric Acid SCHEMBL1662533 0.99 CCR3 (0.33) CCR3RPS6KB1AKT1PRKCBRPS6KA1
Hydrochloric Acid SCHEMBL16457612 0.83 RPS6KB1 (0.45) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL9927821 0.82 GABRA1 (0.35) RPS6KB1AKT1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL16457487 0.82 RPS6KB1 (0.37) RPS6KB1AKT1PRKCBRPS6KA1JAK2
Hydrochloric Acid SCHEMBL1662810 0.81 MEN1 (0.38) RPS6KB1AKT1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL16457091 0.81 RPS6KA1 (0.37) CCR3RPS6KB1AKT1PRKCBRPS6KA1
Hydrochloric Acid SCHEMBL16457694 0.79 MEN1 (0.36) RPS6KB1AKT1PRKCBRPS6KA1JAK2
SCHEMBL9894732 0.78 KDM1A (0.33) JAK2JAK1TYK2JAK3MEN1
Hydrochloric Acid SCHEMBL16457130 0.77 MEN1 (0.35) JAK2JAK1TYK2JAK3MEN1
Hydrochloric Acid SCHEMBL16457163 0.77 GABRA1 (0.38) RPS6KB1AKT1JAK2JAK1TYK2

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
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 WO disclosed