SCHEMBL3433216

SCHEMBL3433216

CC(C(N)=O)c1cccc(-c2ccc3nccnc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.46
PSEN2 P49810 11/20 0.46
APH1B Q8WW43 11/20 0.46
NCSTN Q92542 11/20 0.46
APH1A Q96BI3 11/20 0.46
PSENEN Q9NZ42 11/20 0.46
TGFBR1 P36897 6/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL3388523 0.81 BRD4 (0.49) TGFBR1RXRARXRBRXRG
SCHEMBL30353435 0.79 RXRA (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27480602 0.79 RXRA (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3433756 0.77 TGFBR1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2183673 0.75 CTSK (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2183876 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4260357 0.74 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27705669 0.74 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3390266 0.74 ACACA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3418697 0.74 TGFBR1 (0.42) TGFBR1

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-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed