SCHEMBL7490703

SCHEMBL7490703

CCCCCc1n[c]c2c[nH]nc2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
GPR84 Q9NQS5 6/20 0.31
KCNH2 Q12809 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
SCHEMBL7488220 0.98 ALDH1A1 (0.34) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7486394 0.95 PDE4A (0.32)
SCHEMBL7493272 0.89
SCHEMBL7545123 0.73 XDH (0.36) ALDH1A1GPR84KCNH2
SCHEMBL5809787 0.72 CCNE2 (0.34) PI4KAPI4K2BPI4K2API4KBGPR84
SCHEMBL7542834 0.72 XDH (0.38) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL4566027 0.71 KCNH2 (0.35) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7490134 0.71 PAK1 (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL7491723 0.70 CDK1 (0.39) ALDH1A1HPGDKCNH2
SCHEMBL7487251 0.70

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
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed