SCHEMBL6110212

SCHEMBL6110212

Cc1nc(-c2ccc(Br)cc2F)nc2sc(C(N)=O)c(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ IKBKB O14920 14/20 0.47
▸ LIMK1 P53667 3/20 0.47
▸ CHUK O15111 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ PRKACG P22612 1/20 0.47
▸ PRKACB P22694 1/20 0.47
▸ BTK Q06187 1/20 0.47
▸ NPC1 O15118 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK19 Q9BWU1 1/20 0.42

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
SCHEMBL6109570 0.89 KMT2A (0.54) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL5809588 0.84 MAPT (0.39) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6110060 0.84 KMT2A (0.56) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6109707 0.82 MAPT (0.56) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6111195 0.78 IKBKB (0.56) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6110854 0.76 MAPT (0.63) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6110206 0.74 IKBKB (0.52) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6111409 0.74 IKBKB (0.64) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6110291 0.74 KMT2A (0.71) MAPTKMT2AMEN1IKBKBLIMK1
SCHEMBL6111488 0.73 EEF2K (0.59) MAPTKMT2AMEN1IKBKBLIMK1

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-2006010568-A2 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-02-02 — — WO disclosed
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