SCHEMBL13954863

SCHEMBL13954863

CC1=NSC(Nc2nc(C3CCCNC3)cn3c(-c4cnn(C)c4)cnc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.45
▸ CCNA2 P20248 5/20 0.43
▸ CDK2 P24941 5/20 0.43
▸ CCNA1 P78396 5/20 0.43
▸ AURKA O14965 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ RPS6KA4 O75676 1/20 0.41
▸ STK10 O94804 1/20 0.41
▸ LATS1 O95835 1/20 0.41
▸ PAK4 O96013 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ MAP2K2 P36507 1/20 0.41
▸ TGFBR2 P37173 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ PSMC4 P43686 1/20 0.41
▸ PRKCD Q05655 1/20 0.41

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
SCHEMBL13955032 0.88 AURKB (0.51) CHEK1AURKAAURKBIRAK4
SCHEMBL13954831 0.79 AURKA (0.51) CHEK1CCNA2CDK2CCNA1AURKA
SCHEMBL14529991 0.79 CHEK1 (0.64) CHEK1CCNA2CDK2CCNA1AURKA
SCHEMBL8246082 0.79 CHEK1 (0.64) CHEK1CCNA2CDK2CCNA1AURKA
SCHEMBL15146178 0.78 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL12473408 0.77 AURKA (0.46) CHEK1CCNA2CDK2CCNA1AURKA
SCHEMBL14507184 0.77 AURKA (0.46) CHEK1CCNA2CDK2CCNA1AURKA
SCHEMBL15146184 0.77 CHEK1 (0.45) CHEK1CCNA2CDK2CCNA1AURKA
SCHEMBL14530376 0.76 CHEK1 (0.48) CHEK1CCNA2CDK2CCNA1RPS6KA4
SCHEMBL13764205 0.76 CHEK1 (0.57) CHEK1CCNA2CDK2CCNA1RPS6KA4

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-2009017701-A2 ANTI-MITOTIC AGENT AND AURORA KINASE INHIBITOR COMBINATION AS ANTI-CANCER TREATMENT SCHERING CORPORATION (US) 2009-02-05 — — WO disclosed
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