SCHEMBL30385187

SCHEMBL30385187

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N(C)CCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 11/20 0.40
▸ GPR119 Q8TDV5 3/20 0.39
▸ PTK6 Q13882 1/20 0.38
▸ NEK2 P51955 2/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ PRKDC P78527 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
Hydrochloric Acid SCHEMBL30385762 0.96 PTK6 (0.40) TTKGPR119PTK6NEK2
SCHEMBL24870852 0.93 TTK (0.42) TTKPTK6
SCHEMBL30171524 0.93 TTK (0.42) TTKPTK6
SCHEMBL25176070 0.90 TTK (0.38) TTKPTK6
SCHEMBL22122942 0.89 TTK (0.41) TTKPTK6
SCHEMBL22123765 0.89 TTK (0.46) TTKPTK6
SCHEMBL25450692 0.88 TTK (0.42) TTKPTK6
Hydrochloric Acid SCHEMBL25167713 0.88 TTK (0.45) TTKPTK6
SCHEMBL22122961 0.88 TTK (0.40) TTKPTK6
SCHEMBL24939233 0.88 TTK (0.40) TTKPTK6

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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