SCHEMBL16498279

SCHEMBL16498279

O=C(O)c1ccc2c(C3=CCCCC3)n(-c3ccccc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ LIMK1 P53667 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ SLC5A1 P13866 1/20 0.40
▸ PTGER1 P34995 2/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ ELANE P08246 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MITF O75030 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16498371 0.87 TP53 (0.41) RAB9AMITFPKMNPC1POLB
SCHEMBL16498355 0.83 CFTR (0.37) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498847 0.83 MAPT (0.36) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16512790 0.82 SLC5A1 (0.35) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16512871 0.80 ELANE (0.38) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498236 0.79 CHEK1 (0.53) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16512866 0.77 PTGER1 (0.46) SLC5A1PTGER1GRM2ELANEL3MBTL1
SCHEMBL16498268 0.74 KMT2A (0.42) NPC1POLBHSD17B10GAAMAPT
SCHEMBL16512390 0.73 PTGER1 (0.40) AURKASLC5A1PTGER1GRM2ELANE
SCHEMBL16512632 0.73 TDP1 (0.36) SLC5A1PTGER1GRM2ELANERAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO claimed
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
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