SCHEMBL30459875

SCHEMBL30459875

Clc1nccc(-n2ncc3ccccc32)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
CCNT1 O60563 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
CDK9 P50750 2/20 0.49
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
RPS6KA5 O75582 1/20 0.47
LRRK2 Q5S007 1/20 0.45
RECQL P46063 1/20 0.39
IRAK4 Q9NWZ3 5/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.38
DYRK1A Q13627 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL17683140 1.00 MKNK1 (0.51) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL19100812 0.83 MKNK2 (0.41) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL19100800 0.83 MKNK1 (0.41) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL19100862 0.81 RPS6KA5 (0.58) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL12489602 0.81 CDC7 (0.56) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL19100208 0.79 KDM4E (0.55) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL29695764 0.79 CHEK1 (0.41) CCNT1CDK1CCNB1CDK9CDK7
SCHEMBL17683358 0.79 CYP11B1 (0.43) RPS6KA5IRAK4CYP11B1CYP11B2PAK4
SCHEMBL3824181 0.77 MKNK1 (0.48) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL12075159 0.77 MKNK1 (0.46) MKNK1MKNK2MAPK8MAPK9MAPK10

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
CN-117402143-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2024-01-16 CN disclosed
CN-117069700-A EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-11-17 CN disclosed
CN-111187221-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-26 CN disclosed
CN-111171000-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-09-01 CN disclosed
CN-111170999-B EGFR inhibitor and preparation and application thereof 上海翰森生物医药科技有限公司 2023-06-30 CN disclosed