SCHEMBL2187394

SCHEMBL2187394

Cc1cc2nc(NC(=O)c3csc(N4CCOCC4)n3)[nH]c2cc1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL16767096 0.85 CSNK1E (0.53) IRAK4L3MBTL1
SCHEMBL2187668 0.75 KMT2A (0.48) L3MBTL1
SCHEMBL2187276 0.73 GSK3B (0.46) IRAK4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22811380 0.71 L3MBTL1 (0.55) IRAK4L3MBTL1
SCHEMBL27735961 0.71 HTT (0.48) IRAK4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2187686 0.71 SMN1; SMN2 (0.46) L3MBTL1
SCHEMBL27756403 0.70 IRAK4 (0.56) IRAK4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL18619678 0.70 LMNA (0.55) IRAK4L3MBTL1
SCHEMBL3068984 0.70 NPC1 (0.55) IRAK4L3MBTL1
SCHEMBL15348570 0.69 HRH3 (0.53) IRAK4L3MBTL1

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