SCHEMBL7380972

SCHEMBL7380972

COc1ccc(Cn2cnc(N)c3nc(C(C)(C)OCc4ccccc4)nc2-3)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 8/20 0.44
MAPK1 P28482 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ROCK2 O75116 1/20 0.38
QPCT Q16769 2/20 0.38
QPCTL Q9NXS2 2/20 0.38

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
Hydrochloric Acid SCHEMBL7742154 0.99 CSF1R (0.43) CSF1RMAPK1NPC1RAB9AKDM4E
SCHEMBL7739711 0.96 CSF1R (0.45) CSF1RMAPK1NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7205601 0.95 CSF1R (0.44) CSF1RMAPK1NPC1RAB9AKDM4E
SCHEMBL7740548 0.93 CSF1R (0.39) CSF1RLMNAHTTROCK2QPCT
SCHEMBL7381211 0.92 CSF1R (0.44) CSF1RKDM4EALDH1A1LMNATSHR
SCHEMBL7734205 0.90 PDE4A (0.48)
Hydrochloric Acid SCHEMBL7206477 0.89 PDE4A (0.48)
SCHEMBL6673814 0.89 CSF1R (0.43) CSF1RMAPK1NPC1RAB9AKDM4E
SCHEMBL6673334 0.85 MAPK1 (0.45) CSF1RMAPK1NPC1RAB9AKDM4E
SCHEMBL7379736 0.85 PDE4A (0.49)

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 5 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 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
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed