SCHEMBL13610081

SCHEMBL13610081

CNc1nc(NCCNC=O)c(N=Nc2nn(CCOC)cc2C#N)c(Nc2c(C)cc(C)cc2C)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CFTR P13569 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ KPNA2 P52292 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
SCHEMBL14506743 0.95 KDM4E (0.32) KDM4EALDH1A1PKMCFTRKPNA2
SCHEMBL13610058 0.88 KDM4E (0.32) KDM4EALDH1A1PKMCFTRKPNA2
SCHEMBL14533572 0.85 KDM4E (0.32) KDM4EALDH1A1PKMCYP1A2LRRK2
SCHEMBL10171654 0.75 KDM4E (0.43) KDM4EALDH1A1PKMCFTRKPNA2
SCHEMBL10171646 0.74 KDM4E (0.34) KDM4EALDH1A1PKM
SCHEMBL10171673 0.72 KDM4E (0.33) KDM4EALDH1A1PKM
SCHEMBL12124873 0.70 — —
SCHEMBL15043017 0.69 CA12 (0.36) KDM4EALDH1A1PKMCFTR
SCHEMBL15042954 0.69 CA12 (0.36) KDM4EALDH1A1PKMCFTR
SCHEMBL10171686 0.69 KDM4E (0.35) KDM4EALDH1A1PKMCFTRKPNA2

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
US-7622521-B2 Colored curable composition, color filter and method of producing thereof FUJIFILM CORPORATION (JP) 2009-11-24 — — US disclosed
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