SCHEMBL3788876

SCHEMBL3788876

N#CCCn1nc2ccc(C(=O)NCc3ccc(-c4cnc(N)nc4)cc3OC(F)(F)F)cn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 13/20 0.38
EPHX2 P34913 2/20 0.38
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
SCN5A Q14524 1/20 0.34
DDR1 Q08345 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL13257875 0.89 EPHX2 (0.38) RIPK1EPHX2ROCK2ROCK1DDR1
SCHEMBL3798917 0.85 EPHX2 (0.39) RIPK1EPHX2ROCK2ROCK1DDR1
SCHEMBL3788283 0.85 EPHX2 (0.49) RIPK1EPHX2ROCK2ROCK1DDR1
SCHEMBL3788739 0.80 DDR1 (0.37) DDR1
SCHEMBL3790192 0.80 SCN5A (0.43) RIPK1EPHX2ROCK2ROCK1SCN5A
SCHEMBL3788832 0.78 EPHX2 (0.40) RIPK1EPHX2ROCK2ROCK1DDR1
SCHEMBL3790712 0.76 EPHX2 (0.51) RIPK1EPHX2ROCK2ROCK1DDR1
SCHEMBL3788935 0.75 EPHX2 (0.47) RIPK1EPHX2ROCK2ROCK1
SCHEMBL3805799 0.75 DDR1 (0.41) EPHX2DDR1
SCHEMBL3787175 0.74 EPHX2 (0.57) EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed