SCHEMBL8799080

SCHEMBL8799080

COC(=O)C1CCC(Nc2cc(Nc3cccc(C)c3)ncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53
EGFR P00533 9/20 0.49
TNNI3K Q59H18 1/20 0.47
ERBB4 Q15303 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45

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
SCHEMBL8799076 1.00 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8798453 0.89 EGFR (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8798454 0.89 EGFR (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8798751 0.84 EGFR (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8798748 0.84 EGFR (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8801487 0.84 EGFR (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8798647 0.84 EGFR (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8798643 0.84 EGFR (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8808658 0.83 EP300 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8808651 0.83 EP300 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO disclosed