SCHEMBL30183333

SCHEMBL30183333

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCCCCNC(=O)O)c(C)c4)nccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.47
▸ PTK6 Q13882 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ BCR P11274 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL22123471 0.94 TTK (0.46) TTKPTK6ABL1BCRBRAF
SCHEMBL22123006 0.94 TTK (0.46) TTKPTK6ABL1BCRBRAF
Hydrochloric Acid SCHEMBL30171868 0.93 TTK (0.45) TTKPTK6ABL1BCRBRAF
SCHEMBL22122864 0.93 TTK (0.46) TTKPTK6ABL1BCRBRAF
SCHEMBL22122947 0.92 TTK (0.47) TTKPTK6ABL1BCRBRAF
Hydrochloric Acid SCHEMBL30171667 0.91 TTK (0.46) TTKPTK6ABL1BCRBRAF
SCHEMBL30183415 0.91 TTK (0.44) TTKPTK6ABL1BCRBRAF
SCHEMBL22123679 0.91 TTK (0.44) TTKPTK6ABL1BCR
SCHEMBL22123443 0.90 TTK (0.48) TTKPTK6ABL1BCRBRAF
SCHEMBL22124900 0.89 TTK (0.46) TTKPTK6ABL1BCRBRAF

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP claimed
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