SCHEMBL28410232

SCHEMBL28410232

O=C(OF)C1CCN(c2ncc(F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.51
KDM4E B2RXH2 2/20 0.46
CYP2C19 P33261 1/20 0.46
HCRTR2 O43614 1/20 0.42
SLC6A9 P48067 1/20 0.40
TP53 P04637 1/20 0.40
DEGS1 O15121 1/20 0.40
AOC3 Q16853 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL18255044 0.87 KDM4E (0.57) RIPK1KDM4ECYP2C19HCRTR2TP53
SCHEMBL20564967 0.83 PTPN11 (0.53) RIPK1KDM4ETP53
SCHEMBL15751660 0.83 KDM4E (0.68) RIPK1KDM4ECYP2C19SLC6A9TP53
SCHEMBL20152891 0.81 RIPK1 (0.53) RIPK1KDM4ECYP2C19HCRTR2SLC6A9
SCHEMBL23851037 0.79 RIPK1 (0.51) RIPK1KDM4ECYP2C19TP53DEGS1
SCHEMBL21868474 0.78 KDM4E (0.60) RIPK1KDM4ECYP2C19HCRTR2SIGMAR1
SCHEMBL3929507 0.75 RIPK1 (0.46) RIPK1KDM4ECYP2C19AOC3SIGMAR1
SCHEMBL29208663 0.74 KDM4E (0.50) RIPK1KDM4ETP53DEGS1
SCHEMBL13666598 0.73 RIPK1 (0.44) RIPK1KDM4ESIGMAR1
SCHEMBL18255043 0.73 KDM4E (0.58) KDM4ECYP2C19TP53

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
CN-110913858-A Kinase inhibitors and uses thereof 戴纳立制药公司 2020-03-24 CN disclosed