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SCHEMBL30385550

SCHEMBL30385550

CNCC(=O)N1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(OCC#N)c(F)c5F)cnc34)cc2C)CC1.Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.36
▸ JAK1 P23458 11/20 0.35
▸ JAK2 O60674 9/20 0.35
▸ MAP3K7 O43318 2/20 0.32
▸ TAB1 Q15750 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ GPR4 P46093 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL30385634 0.97 PTK6 (0.38) PTK6JAK1JAK2MAP3K7TAB1
SCHEMBL30386412 0.91 PTK6 (0.42) PTK6JAK1JAK2AURKBTTK
SCHEMBL22124126 0.89 PTK6 (0.41) PTK6JAK1JAK2MAP3K7TAB1
SCHEMBL30177768 0.89 PTK6 (0.41) PTK6JAK1JAK2MAP3K7TAB1
SCHEMBL22123154 0.88 JAK1 (0.44) PTK6JAK1JAK2
SCHEMBL22125124 0.87 PTK6 (0.35) PTK6JAK1JAK2MAP3K7TAB1
Hydrochloric Acid SCHEMBL30385568 0.86 PTK6 (0.45) PTK6AURKBLCK
SCHEMBL22125523 0.85 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL30171930 0.84 JAK1 (0.35) PTK6JAK1JAK2TTK
SCHEMBL25450783 0.84 PTK6 (0.41) PTK6JAK1JAK2MAP3K7TAB1

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
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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