SCHEMBL4025845

SCHEMBL4025845

CCc1nc(I)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP19A1 P11511 1/20 0.31
KCNN4 O15554 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4018376 0.78 CYP19A1 (0.37) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL3500675 0.78 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL4018934 0.77 PDE2A (0.31) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL4018747 0.76 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL4181101 0.74
SCHEMBL8188378 0.70 KMT2A (0.46) MEN1KMT2ACYP11B1CYP11B2KCNN4
SCHEMBL1423935 0.68 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL5447440 0.68 CYP19A1 (0.36) KDM4EMEN1ALDH1A1KMT2ACYP11B1
SCHEMBL8022922 0.68 NOTUM (0.36) CYP11B1CYP11B2L3MBTL1
SCHEMBL10676751 0.65 NOTUM (0.36) KDM4EMEN1ALDH1A1KMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed
WO-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed