SCHEMBL24112102

SCHEMBL24112102

CCNC(=O)N1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(OC(F)F)cc5)cnc34)cc2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.49
▸ TTK P33981 4/20 0.42
▸ AURKB Q96GD4 6/20 0.41
▸ LCK P06239 5/20 0.41
▸ MAPKAPK5 Q8IW41 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
SCHEMBL22124095 0.93 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124439 0.92 PTK6 (0.45) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124869 0.92 PTK6 (0.46) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124463 0.92 PTK6 (0.46) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123915 0.92 PTK6 (0.48) PTK6TTKAURKBLCK
SCHEMBL22124070 0.92 PTK6 (0.46) PTK6TTKAURKBLCKMAPKAPK5
Hydrochloric Acid SCHEMBL22123808 0.92 PTK6 (0.46) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124068 0.92 PTK6 (0.46) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123998 0.92 PTK6 (0.51) PTK6TTKAURKBLCK
SCHEMBL22142735 0.91 PTK6 (0.50) PTK6TTKAURKBLCKMAPKAPK5

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-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
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