SCHEMBL9025865

SCHEMBL9025865

c1cn(-c2nnnc(-n3ccnc3)c2-n2ccnc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.42
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
ENPP2 Q13822 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP2A6 P11509 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
IDO1 P14902 3/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B2 P19099 2/20 0.36
CYP1A2 P05177 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL16923117 0.78 CYP3A4 (0.54) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL11461 0.68 CYP3A4 (0.45) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL11374120 0.68 PDE5A (0.40) CYP3A4LMNAMAPTMEN1KMT2A
SCHEMBL29154249 0.67 CYP3A4 (0.59) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL31241182 0.65 MAPT (0.61) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL28581728 0.65 MAPT (0.61) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL24220264 0.65 NOTUM (0.48) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL9025866 0.64 LMNA (0.67) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL2532397 0.64 LMNA (0.78) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL16673120 0.64 CYP3A4 (0.62) CYP3A4LMNAMAPTENPP2MKNK1

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
JP-6073165-A None JP disclosed
EP-0576393-B1 Curable compositions based on epoxy resins or mixtures of epoxy resins and polyisocyanates containing a trisimidazolyltriazone CIBA GEIGY AG (CH) 1996-04-10 EP disclosed
US-5391681-A Hardeners or promoters having low temperature reactivity and storage stability CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed
JP-H0673165-A CURABLE COMPOSITION BASED ON EPOXY RESIN OR MIXTURE OF EPOXY RESIN AND POLYISOCYANATE CONTAINING TRISIMIDAZOLYL TRIAZINE CIBA GEIGY AG 1994-03-15 JP disclosed
EP-0576393-A1 Curable compositions based on epoxy resins or mixtures of epoxy resins and polyisocyanates containing a trisimidazolyltriazone CIBA-GEIGY AG (CH) 1993-12-29 EP disclosed