SCHEMBL30467968

SCHEMBL30467968

Cc1cn(-c2ccnc(Cl)n2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.50
CDC7 O00311 6/20 0.40
CDK2 P24941 5/20 0.40
SLC6A2 P23975 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
EGFR P00533 1/20 0.37
ROCK1 Q13464 3/20 0.36
ENPP1 P22413 1/20 0.35
CYP2A6 P11509 1/20 0.34
NQO2 P16083 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL17339100 1.00 RPS6KA5 (0.50) RPS6KA5CDC7CDK2SLC6A2KDM4E
SCHEMBL19100158 0.85 RPS6KA5 (0.52) RPS6KA5CDC7CDK2KDM4EPOLB
SCHEMBL17339176 0.82 CDC7 (0.56) CDC7CDK2ROCK1
SCHEMBL28600560 0.82 RPS6KA5 (0.50) RPS6KA5CDC7CDK2KDM4EPOLB
SCHEMBL19100174 0.82 RPS6KA5 (0.50) RPS6KA5CDC7CDK2KDM4EPOLB
SCHEMBL28600569 0.82 RPS6KA5 (0.50) RPS6KA5CDC7CDK2KDM4EPOLB
SCHEMBL18803532 0.82 RPS6KA5 (0.54) RPS6KA5CDC7CDK2KDM4EPOLB
SCHEMBL19100797 0.81 RPS6KA5 (0.56) RPS6KA5CDC7CDK2SLC6A2KDM4E
SCHEMBL19100727 0.81 RPS6KA5 (0.46) RPS6KA5CDC7CDK2KDM4EPOLB
SCHEMBL28600565 0.81 RPS6KA5 (0.46) RPS6KA5CDC7CDK2KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111875585-B Kinase inhibitors 上海艾力斯医药科技股份有限公司 2023-06-23 CN disclosed