SCHEMBL9043127

SCHEMBL9043127

CCCCN1C=Nc2ccncc2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NAMPT P43490 3/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM6B O15054 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16452796 0.81 NPC1 (0.46) CYP2D6ALDH1A1CYP1A2CYP2C19GSK3A
SCHEMBL18417278 0.78 GSK3A (0.40) PDE3BPDE3ANAMPTGSK3AGSK3B
SCHEMBL5139855 0.77 ALDH1A1 (0.50) CYP2D6ALDH1A1CYP1A2CYP2C19NAMPT
SCHEMBL29687292 0.77 ALDH1A1 (0.50) CYP2D6ALDH1A1CYP1A2CYP2C19NAMPT
SCHEMBL20952966 0.76 PDE3B (0.40) PDE3BPDE3AGSK3BNPC1HPGD
SCHEMBL21210897 0.70 ALDH1A1 (0.53) CYP2D6ALDH1A1CYP1A2CYP2C19NAMPT
SCHEMBL23583896 0.66 ALDH1A1 (0.60) CYP2D6ALDH1A1CYP1A2CYP2C19NAMPT
SCHEMBL30138428 0.66 CYP2D6 (0.46) CYP2D6ALDH1A1CYP2C19NAMPTNPC1
SCHEMBL30138409 0.65 HCAR3 (0.45) ALDH1A1HPGDTSHR
SCHEMBL4871445 0.65 ALDH1A1 (0.40) CYP2D6ALDH1A1CYP1A2CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480155-B1 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST ROUSSEL PHARMA (US) 1996-01-31 EP claimed
EP-0480155-A2 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-15 EP claimed
US-5059602-A 4-substituted dihydropyrido(4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-10-22 US claimed
EP-0480155-B1 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST ROUSSEL PHARMA (US) 1996-01-31 EP disclosed
EP-0480155-A2 4-Substituted dihydropyrido (4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-04-15 EP disclosed
US-5095019-A 4-substituted dihydropyrido(4,3-D)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-03-10 US disclosed
US-5059602-A 4-substituted dihydropyrido(4,3-d)pyrimidines as analgesics and topical antiinflammatory agents for the treatment of skin disorders HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed