SCHEMBL8808658

SCHEMBL8808658

Cc1cccc(Nc2cc(NC3CCC(C(=O)N4CCCC4)CC3)ncn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.47
CREBBP Q92793 1/20 0.47
EGFR P00533 3/20 0.46
JUN P05412 1/20 0.45
MAPK10 P53779 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45
TUBA1C Q9BQE3 1/20 0.45
TUBB6 Q9BUF5 1/20 0.45
TUBB2B Q9BVA1 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
SCHEMBL8808651 1.00 EP300 (0.47) EP300CREBBPEGFRJUNMAPK10
SCHEMBL8798454 0.85 EGFR (0.51) EGFRMAPK10TUBB4ATUBBTUBA3C
SCHEMBL8798453 0.85 EGFR (0.51) EGFRMAPK10TUBB4ATUBBTUBA3C
SCHEMBL8799951 0.84 SCN9A (0.46) EP300CREBBPEGFRALDH1A1RAB9A
SCHEMBL8799080 0.83 TUBB4A (0.53) EGFRMAPK10TUBB4ATUBBTUBA3C
SCHEMBL8799076 0.83 TUBB4A (0.53) EGFRMAPK10TUBB4ATUBBTUBA3C
SCHEMBL8797721 0.83 KMO (0.48) ALDH1A1RAB9ATBK1
SCHEMBL8798748 0.81 EGFR (0.51) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8798751 0.81 EGFR (0.51) EGFRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8798643 0.81 EGFR (0.55) EGFRALDH1A1TUBB4ATUBBTUBA3C

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