SCHEMBL30459871

SCHEMBL30459871

Clc1nccc(-n2ccc3ccccc32)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 1/20 0.68
CDK2 P24941 11/20 0.67
CDC7 O00311 10/20 0.67
ROCK1 Q13464 5/20 0.67
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 2/20 0.50
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
MAPK10 P53779 1/20 0.50
MAP3K14 Q99558 2/20 0.49
BIRC5 O15392 1/20 0.49
MAPT P10636 1/20 0.44
JUN P05412 1/20 0.41

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
SCHEMBL5659028 1.00 RPS6KA5 (0.68) RPS6KA5CDK2CDC7ROCK1MKNK1
SCHEMBL19100953 0.82 CDC7 (0.68) RPS6KA5CDK2CDC7MAPT
SCHEMBL19337066 0.81 RPS6KA5 (0.61) RPS6KA5CDK2CDC7ROCK1MAP3K14
SCHEMBL19100965 0.81 RPS6KA5 (1.00) RPS6KA5CDK2CDC7ROCK1MAP3K14
SCHEMBL19100396 0.81 CDC7 (0.68) RPS6KA5CDK2CDC7ROCK1MKNK2
SCHEMBL9377410 0.80 CDC7 (1.00) CDK2CDC7ROCK1MAP3K14
SCHEMBL19533417 0.80 CDK2 (0.67) RPS6KA5CDK2CDC7ROCK1MKNK1
SCHEMBL30753972 0.80 CDC7 (1.00) CDK2CDC7ROCK1MAP3K14
SCHEMBL17888130 0.79 CDC7 (0.68) RPS6KA5CDK2CDC7ROCK1MAP3K14
SCHEMBL28664988 0.79 CDC7 (0.56) RPS6KA5CDK2CDC7ROCK1MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563332-B Novel pyrimidines as EGFR inhibitors and methods of treating disorders 达纳-法伯癌症研究所公司 2024-12-17 CN disclosed
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