SCHEMBL25445321

SCHEMBL25445321

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)CCNC=N)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.46
▸ TTK P33981 7/20 0.41
▸ AURKB Q96GD4 5/20 0.39
▸ LCK P06239 4/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.37

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
SCHEMBL22124440 0.93 PTK6 (0.48) PTK6TTKAURKBLCK
SCHEMBL22123975 0.91 PTK6 (0.45) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124515 0.90 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22124099 0.89 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL24870869 0.89 PTK6 (0.48) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL30177848 0.89 PTK6 (0.48) PTK6TTKAURKBLCKMAPKAPK5
Hydrochloric Acid SCHEMBL30171618 0.88 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123883 0.88 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL25450736 0.88 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
Hydrochloric Acid SCHEMBL25169380 0.88 PTK6 (0.47) 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
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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