SCHEMBL3265458

SCHEMBL3265458

CCC(C(=O)O)=C(c1ccc(F)cc1)c1nc(Nc2cc[nH]n2)n2cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3265611 0.86 JAK2 (0.39) CYP1A2CYP2C9CYP2C19
SCHEMBL1298181 0.83 CSNK1D (0.39) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298945 0.79 MAPK1 (0.35) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298569 0.76 MAPK1 (0.46) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL1298380 0.75 KMT2A (0.40) CSNK1DCSNK1EKDM4EALDH1A1SMN1; SMN2
SCHEMBL1298083 0.74 MAPK14 (0.35) CSNK1DCSNK1EKDM4EALDH1A1CYP1A2
SCHEMBL1298320 0.74 JAK1 (0.33) KDM4EALDH1A1HPGD
SCHEMBL1298642 0.73 KCNK3 (0.40) KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL3265095 0.73 CSNK1D (0.36) CSNK1DCSNK1EKDM4EALDH1A1HPGD
SCHEMBL1298537 0.72 ALDH1A1 (0.35) CSNK1DCSNK1EKDM4EALDH1A1HPGD

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-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 WO disclosed