SCHEMBL14538375

SCHEMBL14538375

Cc1cc(Nc2nc(SC3CCNC3)cn3c(C4=CN(C)NC4)cnc23)sn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.49
▸ LCK P06239 2/20 0.49
▸ EGFR P00533 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ CSNK1D P48730 1/20 0.49
▸ RPS6KA3 P51812 1/20 0.49
▸ PLK3 Q9H4B4 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.49
▸ AURKA O14965 15/20 0.47
▸ AURKB Q96GD4 15/20 0.47
▸ PTK6 Q13882 1/20 0.43

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
SCHEMBL13155374 0.86 CHEK1 (0.60) CHEK1LCKEGFRCDK2KDR
SCHEMBL14536803 0.86 CHEK1 (0.60) CHEK1LCKEGFRCDK2KDR
SCHEMBL13955001 0.83 LCK (0.72) CHEK1LCKEGFRCDK2KDR
SCHEMBL14530381 0.82 AURKA (0.56) CHEK1LCKEGFRCDK2KDR
SCHEMBL13899597 0.79 AURKA (0.43) CHEK1LCKEGFRCDK2KDR
SCHEMBL14529949 0.77 LCK (0.49) CHEK1LCKEGFRCDK2KDR
SCHEMBL14536742 0.77 CHEK1 (0.59) CHEK1LCKEGFRCDK2KDR
SCHEMBL14537052 0.76 LCK (0.49) CHEK1LCKEGFRCDK2KDR
SCHEMBL14537050 0.76 AURKB (0.55) CHEK1LCKEGFRCDK2KDR
SCHEMBL13155408 0.74 LCK (0.79) CHEK1LCKEGFRCDK2KDR

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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