SCHEMBL32675702

SCHEMBL32675702

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2CC[N+](C)(CC3CCNC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.39
▸ AURKB Q96GD4 7/20 0.34
▸ LCK P06239 6/20 0.34
▸ PARP1 P09874 1/20 0.30
▸ TTK P33981 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30
▸ MAPKAPK5 Q8IW41 1/20 0.30

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
SCHEMBL24112409 1.00 PTK6 (0.39) PTK6AURKBLCKPARP1TTK
Trifluoroacetic Acid SCHEMBL25176066 0.96 PTK6 (0.37) PTK6AURKBLCKTTK
SCHEMBL24112613 0.96 PTK6 (0.39) PTK6AURKBLCKTTKJAK2
SCHEMBL24112644 0.96 PTK6 (0.39) PTK6AURKBLCKTTKTBK1
SCHEMBL32675710 0.96 PTK6 (0.39) PTK6AURKBLCKTTKTBK1
SCHEMBL24112643 0.95 PTK6 (0.41) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL32675688 0.95 PTK6 (0.36) PTK6AURKBLCK
SCHEMBL24112415 0.95 PTK6 (0.36) PTK6AURKBLCK
SCHEMBL24112491 0.94 PTK6 (0.40) PTK6AURKBLCKPARP1TTK
SCHEMBL25451075 0.94 PTK6 (0.47) PTK6AURKBLCK

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-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-02-18 — — EP claimed
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