SCHEMBL4045534

SCHEMBL4045534

NNc1nc(C(F)(F)F)cs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR2 O15552 1/20 0.40
CCR4 P51679 2/20 0.36
GRM5 P41594 1/20 0.36
CHKA P35790 1/20 0.36
HDAC4 P56524 2/20 0.35
MEF2D Q14814 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
GCK P35557 2/20 0.34
IDH1 O75874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2086725 0.79 CCR4 (0.56) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL7230611 0.79 MEN1 (0.51) MEN1KMT2ALMNAMAPTFFAR2
SCHEMBL25883270 0.75 FFAR2 (0.46) MEN1KMT2ALMNAMAPTFFAR2
SCHEMBL25083766 0.75 LMNA (0.55) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3610148 0.73 FFAR2 (0.51) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL6239068 0.72 L3MBTL1 (0.56) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3697564 0.71 CCR4 (0.38) MEN1KMT2ALMNAMAPTFFAR2
SCHEMBL245790 0.71 SMN1; SMN2 (0.44) MEN1KMT2ALMNAMAPTGFER
SCHEMBL7493305 0.71 KMT2A (0.51) MEN1KMT2ALMNAMAPTGFER
SCHEMBL29274266 0.71 ALOX5 (0.59) MEN1KMT2ALMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247819-A2 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 EP disclosed
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 CN disclosed
WO-1993003036-A1 BENZOPYRANO[4,3-c]PYRAZOLES, THEIR PREPARATION AND THEIR USE AS IMMUNOMODULATORS THE BOOTS COMPANY PLC (GB) 1993-02-18 WO disclosed