SCHEMBL7375371

SCHEMBL7375371

COc1ccc(Cn2cnc(N)c3nc(C(C)C)nc2-3)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.45
QPCTL Q9NXS2 2/20 0.45
ROCK2 O75116 1/20 0.41
DHFR P00374 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC2A1 P11166 1/20 0.39
CSF1R P07333 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK2 Q16620 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL7413767 0.90 CSF1R (0.46) HTTLMNACSF1RKDM4E
Hydrochloric Acid SCHEMBL7205787 0.89 MEN1 (0.43) QPCTQPCTLLMNAKDM4E
Hydrochloric Acid SCHEMBL7205781 0.89 CSF1R (0.46) HTTLMNACSF1RKDM4E
Hydrochloric Acid SCHEMBL7205142 0.89 MEN1 (0.42) QPCTQPCTLLMNAKDM4E
SCHEMBL1918433 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL30074724 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6674149 0.87 QPCT (0.40) QPCTQPCTLROCK2LMNASMN1; SMN2
SCHEMBL7212615 0.85 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7211531 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740590 0.84 PDE4A (0.37) QPCTQPCTLROCK2LMNACSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541078-A 2002-12-03 JP claimed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP claimed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO claimed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed