SCHEMBL25444570

SCHEMBL25444570

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCC(C(=O)N2CCC(O)C(CO)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 11/20 0.44
▸ TTK P33981 9/20 0.40
▸ AURKB Q96GD4 5/20 0.37
▸ LCK P06239 4/20 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
SCHEMBL24910490 1.00 PTK6 (0.44) PTK6TTKAURKBLCK
SCHEMBL22154414 0.95 PTK6 (0.42) PTK6TTKAURKBLCK
SCHEMBL22124341 0.94 PTK6 (0.43) PTK6TTKAURKBLCK
SCHEMBL30171617 0.94 PTK6 (0.43) PTK6TTKAURKBLCK
SCHEMBL22160838 0.94 PTK6 (0.43) PTK6TTKAURKBLCK
SCHEMBL22142699 0.93 PTK6 (0.45) PTK6TTKAURKBLCK
SCHEMBL30177813 0.90 PTK6 (0.45) PTK6TTKAURKBLCK
SCHEMBL22124193 0.90 PTK6 (0.45) PTK6TTKAURKBLCK
SCHEMBL22124190 0.90 PTK6 (0.45) PTK6TTKAURKBLCK
SCHEMBL22139085 0.90 PTK6 (0.47) PTK6TTKAURKBLCK

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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