SCHEMBL5594098

SCHEMBL5594098

O=C(Cc1ccccc1)Nc1ccc2[nH]nc(C3CC3c3ccccc3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.68
AURKB Q96GD4 1/20 0.68
CDK2 P24941 8/20 0.53
TTK P33981 2/20 0.52
NAMPT P43490 1/20 0.46
ROCK2 O75116 3/20 0.45
HAO1 Q9UJM8 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCNA1 P78396 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
SCHEMBL5594175 0.91 AURKA (0.58) AURKAAURKBCDK2TTKCDK1
SCHEMBL5593757 0.77 AURKA (0.51) AURKAAURKBCDK2CDK1CDK4
SCHEMBL22890624 0.73 LRRK2 (0.74)
SCHEMBL22890323 0.73 LRRK2 (0.74)
SCHEMBL29643542 0.73 LRRK2 (0.74)
SCHEMBL4728731 0.70 CCKBR (0.65) AURKANAMPTROCK2NPC1RAB9A
SCHEMBL2569400 0.69 TTK (1.00) AURKAAURKBTTK
SCHEMBL22334934 0.69 NR1H4 (0.68) AURKAAURKBCDK2CDK1CCNA2
SCHEMBL12907278 0.69 JAK2 (0.55) AURKAAURKBCDK2TTKROCK2
SCHEMBL2556963 0.68 KDM1A (0.72)

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-2007058626-A1 INDAZOLE COMPOUNDS S*BIO PTE LTD (SG) 2007-05-24 WO claimed