SCHEMBL28982177

SCHEMBL28982177

COC(=O)C1CN(CCOCCNC(=O)c2ccc(Nc3nccn4c(-c5ccc(OCC#N)c(F)c5F)cnc34)cc2Cl)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ BRDT Q58F21 1/20 0.30
▸ LCK P06239 1/20 0.30

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
Iodide SCHEMBL25173595 0.89 PTK6 (0.33) PTK6BRD4BRDT
SCHEMBL28982236 0.84 KDM4E (0.36) PTK6KDM4EGAASMN1; SMN2BRD4
SCHEMBL22124281 0.84 PTK6 (0.42) PTK6LCK
SCHEMBL22124283 0.84 PTK6 (0.42) PTK6LCK
SCHEMBL22123871 0.84 PTK6 (0.40) PTK6KDM4EGAASMN1; SMN2LCK
SCHEMBL30402648 0.84 PTK6 (0.47) PTK6KDM4EGAASMN1; SMN2BRD4
SCHEMBL22124741 0.83 PTK6 (0.40) PTK6LCK
SCHEMBL24112493 0.82 PTK6 (0.41) PTK6LCK
SCHEMBL25452721 0.81 PTK6 (0.40) PTK6LCK
SCHEMBL22124671 0.81 PTK6 (0.38) PTK6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
CN-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
Send feedback