SCHEMBL2187276

SCHEMBL2187276

Cc1cc2nc(NC(=O)c3csc(C4CCNCC4)n3)[nH]c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL2185548 0.80 NFKB1 (0.45) NFKB1NFKB2RELAIRAK4CSNK1E
SCHEMBL2187132 0.76 CSNK1E (0.54) NFKB1NFKB2RELACSNK1ECSNK1G3
SCHEMBL2187514 0.75 SMN1; SMN2 (0.46) NFKB1NFKB2RELANPC1RAB9A
SCHEMBL2187394 0.73 IRAK4 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14410419 0.72 GSK3B (0.51) GSK3BDYRK1ANPC1RAB9AMEN1
SCHEMBL16392254 0.72 TDP1 (0.53) GSK3BDYRK1AIRAK4SLC6A3KCNH2
SCHEMBL27756403 0.71 IRAK4 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13997973 0.71 BAZ2A (0.52) GSK3BDYRK1ABAZ2ANPC1RAB9A
SCHEMBL14379269 0.70 PLAT (0.45) GSK3BDYRK1ABAZ2AAOC3MEN1
SCHEMBL31705780 0.70 PLAT (0.45) GSK3BDYRK1ABAZ2AAOC3MEN1

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-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed