SCHEMBL28949050

SCHEMBL28949050

N#Cc1c[nH]c2nc(Cc3cccc(F)c3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 3/20 0.44
LRRK2 Q5S007 2/20 0.42
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
SNCA P37840 2/20 0.39
HSP90AB1 P08238 2/20 0.37
IKBKB O14920 1/20 0.37
IMPDH2 P12268 1/20 0.37
KDM4E B2RXH2 2/20 0.35
BCAT2 O15382 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CDC7 O00311 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL28037230 0.77 IMPDH2 (0.51) SNCAIMPDH2
SCHEMBL28037391 0.72 TLR8 (0.44) TLR8TLR7SNCAPDE4BTAAR1
SCHEMBL30315840 0.71 MAPT (0.50) TLR8TLR7SNCAKDM4EMAPT
SCHEMBL13834917 0.70 LRRK2 (0.45) CHUKLRRK2IMPDH2
SCHEMBL3512037 0.66 TAAR1 (0.44) SNCAKDM4EHPGDTAAR1
SCHEMBL12127758 0.65 APP (0.54) CHUKLRRK2HSP90AB1MAPTCDC7
SCHEMBL13835403 0.65 CHUK (0.53) CHUKLRRK2IMPDH2
SCHEMBL21274452 0.65 LRRK2 (0.53) CHUKLRRK2IMPDH2
SCHEMBL13834754 0.65 LRRK2 (0.53) CHUKLRRK2IKBKBIMPDH2PRMT5
SCHEMBL3827956 0.65 LRRK2 (0.53) CHUKLRRK2IKBKBIMPDH2

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-105026393-A Cdk9 kinase inhibitors ABBVIE INC 2015-11-04 CN disclosed