SCHEMBL4710144

SCHEMBL4710144

COc1nc2oc3c(Cl)ncnc3c2c2c1CCC(C)(C)C2.COc1nc2oc3c(O)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HKDC1 Q2TB90 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
OPRK1 P41145 1/20 0.41
PDE4B Q07343 12/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4A P27815 11/20 0.41
PDE4D Q08499 11/20 0.41

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
SCHEMBL4922607 0.95 ALDH1A1 (0.49) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4925674 0.94 ALDH1A1 (0.50) ALDH1A1HKDC1TSHRMEN1KMT2A
SCHEMBL4927782 0.73 PDE4B (0.69) PDE4BPDE4APDE4D
SCHEMBL4924038 0.72 PDE4B (0.78) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL4708792 0.72 PDE4B (0.78) ALDH1A1TSHRMEN1KMT2APDE4B
SCHEMBL4923387 0.71 PDE4B (0.80) PDE4BPDE4APDE4D
SCHEMBL4924655 0.69 PDE4B (0.80) ALDH1A1MEN1KMT2APDE4BPDE4A
SCHEMBL4711537 0.65 ALDH1A1 (0.59) ALDH1A1TSHRKMT2APOLBNPSR1
SCHEMBL4914577 0.64 PDE4B (0.83) ALDH1A1TSHRMEN1KMT2APDE4B
SCHEMBL4914020 0.63 ALDH1A1 (0.58) ALDH1A1HKDC1TSHRMEN1KMT2A

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-1913003-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-04-23 EP disclosed
WO-2007017078-A1 NEW PYRIDO[3',2':4,5]FURO[3,2-d]PYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-02-15 WO disclosed