SCHEMBL3786948

SCHEMBL3786948

OC1CCN(c2nc(NCc3ccccc3)nc3nnc(-c4ccc(F)cc4)nc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL3783454 0.89 ACHE (0.47) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3781421 0.87 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL3701586 0.87 TLR9 (0.39) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3779641 0.87 HTT (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL3785003 0.87 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3704626 0.87 HRH4 (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3784136 0.86 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL3781745 0.85 ACHE (0.38) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL3784610 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DTUBB4A
SCHEMBL3704323 0.84 CCNE2 (0.40) PDE4APDE4BPDE4CPDE4DHRH1

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
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO claimed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed