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Sugi Predict / Compounds / SCHEMBL14391663

SCHEMBL14391663

SCHEMBL14391663

COc1ccc2c(c1)CC[C@@H]2C(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.56
▸ GSK3B P49841 6/20 0.56
▸ WNT1 P04628 3/20 0.56
▸ ABL1 P00519 9/20 0.53
▸ USP30 Q70CQ3 1/20 0.49
▸ ROCK2 O75116 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ TYK2 P29597 1/20 0.46

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
SCHEMBL558822 1.00 DYRK1A (0.56) DYRK1AGSK3BWNT1ABL1USP30
SCHEMBL14391691 0.90 DYRK1A (0.57) DYRK1AGSK3BWNT1ABL1USP30
SCHEMBL558246 0.90 DYRK1A (0.57) DYRK1AGSK3BWNT1ABL1USP30
SCHEMBL10165902 0.89 DYRK1A (0.55) DYRK1AGSK3BWNT1ABL1
SCHEMBL10165931 0.87 DYRK1A (0.57) DYRK1AGSK3BWNT1ABL1USP30
SCHEMBL12380303 0.85 GSK3B (0.66) DYRK1AGSK3BWNT1ABL1
SCHEMBL12361582 0.83 ABL1 (0.49) DYRK1AGSK3BWNT1ABL1JAK2
SCHEMBL559786 0.83 GSK3B (0.54) DYRK1AGSK3BWNT1ABL1USP30
SCHEMBL559704 0.83 GSK3B (0.54) DYRK1AGSK3BWNT1ABL1USP30
SCHEMBL558724 0.83 GSK3B (0.54) DYRK1AGSK3BWNT1ABL1USP30

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
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — WO disclosed