SCHEMBL22497670

SCHEMBL22497670

Nc1ccc(-c2cccc(-c3cccnc3)c2)cc1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.65
MKNK2 Q9HBH9 3/20 0.65
MEN1 O00255 2/20 0.65
PSIP1 O75475 1/20 0.65
AXL P30530 1/20 0.65
CYP2A6 P11509 3/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP11B1 P15538 5/20 0.53
CYP11B2 P19099 5/20 0.53
CYP19A1 P11511 2/20 0.53
CYP17A1 P05093 1/20 0.53
AURKA O14965 1/20 0.53
TTK P33981 1/20 0.53
AURKB Q96GD4 1/20 0.53
INCENP Q9NQS7 1/20 0.53
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PGR P06401 1/20 0.51

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
SCHEMBL77876 0.96 MKNK1 (0.63) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL30516501 0.96 MKNK1 (0.63) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL30620885 0.84 CYP2A6 (0.79) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL17951830 0.84 CYP2A6 (0.79) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12103445 0.84 CYP2A6 (0.79) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL18745701 0.83 MKNK1 (0.72) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL669546 0.82 CYP2A6 (0.75) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL472057 0.82 CYP2A6 (0.75) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12108690 0.82 CYP2A6 (0.75) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL20930856 0.82 CYP2A6 (0.75) MKNK1MKNK2MEN1PSIP1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111747936-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2021-10-22 CN disclosed
CN-111747936-A Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 CN disclosed
WO-2020199997-A1 SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, COMPOSITION AND APPLICATION THEREOF 吉林省元合电子材料有限公司 2020-10-08 WO disclosed