SCHEMBL3269941

SCHEMBL3269941

Cc1nc2c(Sc3cccc(F)c3)c(OC(N)=O)[nH]c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.41
PIK3CA P42336 1/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 1/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32
TUBB2B Q9BVA1 2/20 0.32

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
SCHEMBL3270007 0.88 EDNRA (0.44) PIK3CATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3269782 0.88 TYMS (0.41) TYMSMAPTTUBB4ATUBBTUBA3C
SCHEMBL3269846 0.87 TYMS (0.39) TYMSMAPTTP53TUBB4ATUBB
SCHEMBL3268800 0.86 RHEB (0.39) TYMSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3183862 0.84 TYMS (0.43) TYMSPIK3CAMAPTL3MBTL1EPHX1
SCHEMBL27694239 0.79 TYMS (0.39) TYMSPIK3CAEPHX1CDC7
SCHEMBL3272659 0.78 EDNRA (0.44) PIK3CATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4036741 0.77 RAF1 (0.45) TYMSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4035517 0.76 TYMS (0.37) TYMSPIK3CAEPHX1SLC6A9HAO1
SCHEMBL3269356 0.75 TYMS (0.35) TYMSTUBB4ATUBBTUBA3CTUBA1B

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
EP-1784409-B1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2010-06-16 EP claimed