SCHEMBL24112347

SCHEMBL24112347

CCC(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 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.39
▸ LCK P06239 5/20 0.32
▸ AURKB Q96GD4 3/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ EGFR P00533 2/20 0.31
▸ STK4 Q13043 2/20 0.31
▸ STK3 Q13188 1/20 0.31
▸ IGF1R P08069 1/20 0.31

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
SCHEMBL24112346 0.90 PTK6 (0.39) PTK6LCKAURKBP2RX3EGFR
SCHEMBL24112380 0.85 PTK6 (0.35) PTK6EGFRIGF1R
SCHEMBL30171867 0.85 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL22123725 0.85 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL30386185 0.84 PTK6 (0.40) PTK6LCKAURKB
SCHEMBL25176442 0.84 PTK6 (0.40) PTK6LCKAURKBEGFR
SCHEMBL22123122 0.84 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL22124776 0.84 PTK6 (0.37) PTK6LCKAURKBEGFRSTK4
SCHEMBL30171624 0.84 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL30402469 0.84 PTK6 (0.37) PTK6LCKAURKBEGFRSTK4

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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