SCHEMBL3376376

SCHEMBL3376376

O=C(O)N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)c[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.45
RPS6KB1 P23443 17/20 0.42
AKT1 P31749 13/20 0.42
AKT2 P31751 2/20 0.42
KCNH2 Q12809 2/20 0.42
AKT3 Q9Y243 2/20 0.42
RPS6KA5 O75582 2/20 0.41
RPS6KA4 O75676 2/20 0.41
RPS6KA3 P51812 2/20 0.41
RPS6KA2 Q15349 2/20 0.41
RPS6KA1 Q15418 2/20 0.41
RPS6KB2 Q9UBS0 2/20 0.41
RPS6KA6 Q9UK32 2/20 0.41
NOTUM Q6P988 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
SCHEMBL311583 0.86 GPR119 (0.48)
SCHEMBL19134021 0.85 RPS6KB1 (0.41) KMORPS6KB1AKT1AKT2KCNH2
SCHEMBL15732495 0.84 P2RY14 (0.41) KCNH2
SCHEMBL14782527 0.84 TRPC3 (0.51)
SCHEMBL6166219 0.83 HTR2B (0.49) KCNH2
SCHEMBL312676 0.82 KMO (0.44) KMORPS6KB1AKT1KCNH2
SCHEMBL311050 0.81 MPL (0.44) KMORPS6KB1AKT1RPS6KA5RPS6KA4
Hydrochloric Acid SCHEMBL310687 0.80 MPL (0.43) KMORPS6KB1AKT1RPS6KA5RPS6KA4
SCHEMBL6168951 0.79 HTR2B (0.51)
SCHEMBL6166669 0.78 ABL1 (0.41)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102209538-B Combination therapeutics of P70S 6 kinase inhibitors and EGFR inhibitors LILLY CO ELI 2013-06-12 CN disclosed
CN-102209539-B Combination therapeutics of P70S 6 kinase inhibitors and MTOR inhibitors LILLY CO ELI 2013-06-12 CN disclosed
CN-102209538-A Combination therapy of P70S 6 kinase inhibitors and EGFR inhibitors LILLY CO ELI 2011-10-05 CN disclosed
CN-102209539-A Combination therapy of P70S 6 kinase inhibitors and MTOR inhibitors LILLY CO ELI 2011-10-05 CN disclosed
WO-2010056574-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
WO-2010056575-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed