SCHEMBL14538362

SCHEMBL14538362

Cc1cc(Nc2nc(Br)cn3c(C4C=NNC4)cnc23)sn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.46
▸ AURKB Q96GD4 15/20 0.45
▸ AURKA O14965 14/20 0.45
▸ CHEK1 O14757 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ PLK3 Q9H4B4 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ PTK6 Q13882 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
SCHEMBL14533851 0.88 AURKB (0.47) LCKAURKBAURKACHEK1EGFR
SCHEMBL13899630 0.83 AURKB (0.51) LCKAURKBAURKACHEK1EGFR
SCHEMBL13899549 0.83 AURKB (0.46) LCKAURKBAURKACHEK1EGFR
SCHEMBL13899514 0.82 AURKB (0.44) LCKAURKBAURKACHEK1EGFR
SCHEMBL13899568 0.82 AURKB (0.44) LCKAURKBAURKACHEK1EGFR
SCHEMBL13899609 0.82 AURKA (0.49) LCKAURKBAURKACHEK1EGFR
SCHEMBL13899525 0.80 PTK6 (0.47) LCKAURKBAURKACHEK1EGFR
SCHEMBL13899629 0.79 PTK6 (0.44) LCKAURKBAURKACHEK1EGFR
SCHEMBL14507645 0.78 LCK (0.54) LCKAURKBAURKACHEK1EGFR
SCHEMBL12645937 0.74 LCK (0.65) LCKAURKBAURKACHEK1KDR

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-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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