SCHEMBL24112346

SCHEMBL24112346

CCN(CCN(C)C)CCN(C)C(=O)c1ccc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.39
▸ EGFR P00533 6/20 0.32
▸ STK4 Q13043 2/20 0.32
▸ LCK P06239 2/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ STK3 Q13188 1/20 0.31
▸ IGF1R P08069 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ ERBB2 P04626 2/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.30
▸ FGFR3 P22607 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
SCHEMBL24112088 0.92 PTK6 (0.41) PTK6EGFRLCKAURKBIGF1R
SCHEMBL24112347 0.90 PTK6 (0.39) PTK6EGFRSTK4LCKAURKB
SCHEMBL22124776 0.86 PTK6 (0.37) PTK6EGFRSTK4LCKAURKB
SCHEMBL30402469 0.86 PTK6 (0.37) PTK6EGFRSTK4LCKAURKB
SCHEMBL28603777 0.86 PTK6 (0.39) PTK6EGFRLCKAURKBIGF1R
SCHEMBL22123725 0.86 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL30171867 0.86 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL25176442 0.85 PTK6 (0.40) PTK6EGFRLCKAURKBERBB2
SCHEMBL22123122 0.85 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL30171624 0.85 PTK6 (0.44) PTK6LCKAURKB

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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