SCHEMBL27902769

SCHEMBL27902769

O=C(C([C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1)N1CCN(c2c(-c3ccccc3)cnc3[nH]nc(OC[C@@H](O)CO)c23)CC1)C([C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1)N1CCN(c2c(-c3ccccc3)cnc3[nH]nc(OC[C@@H](O)CO)c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.35
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ AKT1 P31749 2/20 0.32
▸ AKT2 P31751 2/20 0.32
▸ AKT3 Q9Y243 2/20 0.32
▸ GPR88 Q9GZN0 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL3719199 0.87 AKT1 (0.44) SLC6A2SLC6A4SLC6A3AKT1AKT2
SCHEMBL3719200 0.87 AKT1 (0.44) SLC6A2SLC6A4SLC6A3AKT1AKT2
SCHEMBL3719193 0.87 AKT1 (0.44) SLC6A2SLC6A4SLC6A3AKT1AKT2
SCHEMBL11961245 0.87 AKT1 (0.44) SLC6A2SLC6A4SLC6A3AKT1AKT2
SCHEMBL27902774 0.81 MAPK1 (0.35) MAPK1
SCHEMBL11961825 0.81 AKT1 (0.37) MAPK1SLC6A2SLC6A4SLC6A3AKT1
SCHEMBL27807351 0.81 MAPK1 (0.35) MAPK1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL27807423 0.81 MAPK1 (0.35) MAPK1LMNAMAPTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL28802497 0.81 MAPK1 (0.35) MAPK1
SCHEMBL3739679 0.78 PIK3CD (0.39) MAPK1LMNASMN1; SMN2KMT2A

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-101965347-B Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-01-02 — — CN disclosed
Send feedback