SCHEMBL7739685

SCHEMBL7739685

CCNc1ncn(Cc2ccc(OC)c(OCc3ccncc3)c2)c2nc(C(C)C)nc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.38
PLK1 P53350 1/20 0.38
CSF1R P07333 6/20 0.38
MAPK1 P28482 2/20 0.37
NTRK1 P04629 2/20 0.37
NTRK2 Q16620 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
REN P00797 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL7380105 0.93 PLK1 (0.35) PGK1PLK1CSF1RMAPK1NTRK1
SCHEMBL7379984 0.92 MAPK1 (0.46) CSF1RMAPK1HSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7208744 0.91 MAPK1 (0.45) CSF1RMAPK1HSD17B10KDM4EALDH1A1
SCHEMBL7372887 0.87 TLR7 (0.38) TLR7PDE4APDE4BPDE4CPDE4D
SCHEMBL7382470 0.85 ALDH1A1 (0.38) CSF1RMAPK1HSD17B10TLR7KDM4E
SCHEMBL7382537 0.84 TLR7 (0.40) TLR7RENKDM4EALDH1A1PDE4A
SCHEMBL1388094 0.84 YTHDC1 (0.40) PGK1TLR7KDM4EALDH1A1LMNA
SCHEMBL7379329 0.84 PDE4B (0.41) MAPK1TLR7KDM4EALDH1A1PDE4A
SCHEMBL7380803 0.84 CCNB2 (0.41) TLR7KDM4ELMNATSHRYTHDC1
Hydrochloric Acid SCHEMBL7031630 0.83 YTHDC1 (0.39) PGK1TLR7KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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