SCHEMBL16229242

SCHEMBL16229242

COCCO[C@]1(C(=O)NO)CC[C@@H](c2nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c(N)c2C(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.42
▸ RPTOR Q8N122 2/20 0.42
▸ MLST8 Q9BVC4 2/20 0.42
▸ CHEK1 O14757 2/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ AKT2 P31751 1/20 0.31

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
SCHEMBL15007199 1.00 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL28915 1.00 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007250 0.93 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007249 0.93 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL20663 0.93 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15031521 0.91 MTOR (0.33) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15031522 0.91 MTOR (0.33) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007129 0.90 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007128 0.90 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL30464 0.89 MTOR (0.39) MTORRPTORMLST8CHEK1CCNA2

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-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-8883801-B2 Substituted pyrazolo[1,5-a]pyrimidines as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
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