SCHEMBL8798331

SCHEMBL8798331

COC(=O)C1CCN(c2cc(Nc3cccc(C)c3)ncn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.47
SCN9A Q15858 3/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.45
LIMK2 P53671 2/20 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
SCHEMBL8798398 0.89 SCN9A (0.48) PDGFRBSCN9ATUBB4ATUBBTUBA3C
SCHEMBL27335944 0.88 USP2 (0.50) PDGFRBSCN9ATUBB4ATUBBTUBA3C
SCHEMBL8799951 0.86 SCN9A (0.46) PDGFRBSCN9AKDM4EUSP2LIMK2
SCHEMBL27322788 0.83 KDM4E (0.56) SCN9AKDM4EUSP2LIMK2EGFR
SCHEMBL27323457 0.82 EGFR (0.53) PDGFRBSCN9AEGFRTNNI3KLMNA
SCHEMBL8799080 0.81 TUBB4A (0.53) PDGFRBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8799076 0.81 TUBB4A (0.53) PDGFRBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7855384 0.80 SCN9A (0.43) PDGFRBSCN9ATUBB4ATUBBTUBA3C
SCHEMBL7851959 0.80 LIMK1 (0.57) PDGFRBSCN9ATUBB4ATUBBTUBA3C
SCHEMBL25191035 0.79 KDM4E (0.54) KDM4EKMT2AMEN1SMN1; SMN2LMNA

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