SCHEMBL14530403

SCHEMBL14530403

CN1C=C(c2cnc3c(Nc4ccc(-n5ccnc5)cc4)nc(C4CCCNC4)cn23)CN1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 7/20 0.34
▸ PTK6 Q13882 7/20 0.34
▸ LCK P06239 6/20 0.34
▸ CHEK1 O14757 3/20 0.34
▸ AURKA O14965 2/20 0.34
▸ SYK P43405 1/20 0.34
▸ CCNT1 O60563 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 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
SCHEMBL14529984 0.86 CHEK1 (0.44) AURKBPTK6CHEK1AURKACDK2
SCHEMBL8241447 0.86 CHEK1 (0.44) AURKBPTK6CHEK1AURKACDK2
SCHEMBL14538359 0.81 CHEK1 (0.46) AURKBPTK6LCKCHEK1AURKA
SCHEMBL14530731 0.78 AURKA (0.38) AURKBPTK6LCKAURKASYK
SCHEMBL14507767 0.78 CHEK1 (0.47) AURKBPTK6CHEK1AURKACDK2
SCHEMBL14530381 0.77 AURKA (0.56) AURKBLCKCHEK1AURKACDK2
SCHEMBL8248254 0.77 AURKB (0.53) AURKBPTK6LCKCHEK1AURKA
SCHEMBL14536854 0.73 CHEK1 (0.42) AURKBPTK6LCKCHEK1AURKA
SCHEMBL8241422 0.69 CHEK1 (0.61) AURKBPTK6LCKCHEK1AURKA
SCHEMBL8246925 0.68 CHEK1 (0.46) AURKBPTK6LCKCHEK1AURKA

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-2007058873-A2 IMIDAZOPYRAZINES AS CYCLIN DEPENTEND KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
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