SCHEMBL25900470

SCHEMBL25900470

Cc1cc(I)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 13/20 0.40
▸ KCNH2 Q12809 11/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40

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
SCHEMBL25900471 0.83 CHRNA7 (0.40) CHRNA7KCNH2CDK4CCND1
SCHEMBL30912529 0.81 MAPT (0.45) CHRNA7KCNH2
SCHEMBL13657915 0.81 MAPT (0.45) CHRNA7KCNH2
SCHEMBL30912434 0.81 MAPT (0.45) CHRNA7KCNH2
SCHEMBL3413859 0.81 MAPT (0.45) CHRNA7KCNH2
SCHEMBL24681527 0.77 CDK4 (0.47) CHRNA7KCNH2CDK4CCND1
SCHEMBL15790567 0.77 CHRNA7 (0.51) CHRNA7KCNH2
SCHEMBL25889729 0.77 CDK4 (0.47) CHRNA7KCNH2CDK4CCND1
SCHEMBL3411641 0.76 ALDH1A1 (0.45) —
SCHEMBL3415212 0.75 CHRNA7 (0.36) CHRNA7KCNH2CDK4CCND1

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
WO-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 — — WO disclosed
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