SCHEMBL3984239

SCHEMBL3984239

COc1ccc(C2(c3nnc4ncc(-c5ccc(C(=O)NC6CCC(O)CC6)cc5)nn34)C=C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
MAPK14 Q16539 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
FYN P06241 2/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
TTK P33981 1/20 0.38
HSD11B1 P28845 1/20 0.38
PAK1 Q13153 1/20 0.38
MET P08581 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KLK7 P49862 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL836247 0.90 HSD11B1 (0.45) HPGDSMAPK14EGLN1TP53POLB
SCHEMBL838247 0.90 HSD11B1 (0.45) HPGDSMAPK14EGLN1TP53POLB
SCHEMBL837528 0.87 HSD11B1 (0.47) HPGDSMAPK14TP53POLBFYN
SCHEMBL835308 0.82 HPGDS (0.44) HPGDSEGLN1TP53POLBTTK
SCHEMBL838827 0.78 ALDH1A1 (0.50) TP53HPGDSMN1; SMN2HSD11B1ALDH1A1
SCHEMBL837728 0.73 CHEK1 (0.46) EGLN1POLBSMN1; SMN2HSD11B1MET
SCHEMBL836278 0.73 BTK (0.40) CCNE1CDK2PAK1
SCHEMBL3983206 0.72 MET (0.40) TP53SMN1; SMN2METMAPTMEN1
SCHEMBL11813023 0.72 HPGDS (0.62) HPGDSMAPK14HPGDSMN1; SMN2MEN1
SCHEMBL835601 0.70 MET (0.51) HPGDSMN1; SMN2HSD11B1METALDH1A1

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
EP-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP claimed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO claimed