SCHEMBL27644969

SCHEMBL27644969

Cc1ccc2c(N3CCN(OC(=O)C(C)(C)C)CC3)ncnc2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.37
▸ MAPT P10636 3/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ PDGFRB P09619 2/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ PAK1 Q13153 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL2799231 0.82 KIT (0.55) KITMAPTACHEKMT2ACNR1
SCHEMBL25391683 0.68 HTT (0.37) KITMAPTPDGFRBPDGFRAKMT2A
SCHEMBL2801008 0.64 KIT (0.59) KITMAPTACHEPOLBCNR1
SCHEMBL28866006 0.64 HRH4 (0.46) —
SCHEMBL25272390 0.62 MAP4K4 (0.37) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28792787 0.61 HTR7 (0.39) MAPTALDH1A1
SCHEMBL28675131 0.61 ALDH1A1 (0.54) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL28794456 0.61 MEN1 (0.39) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL25389057 0.61 NCF1 (0.55) PDGFRBKMT2AALDH1A1
SCHEMBL13230436 0.61 JAK2 (0.43) MAPTPOLBKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882347-A AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2006-12-20 — — CN disclosed
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