SCHEMBL14655434

SCHEMBL14655434

NC(=O)[CH]C(=O)N1CCC(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.43
DPP7 Q9UHL4 3/20 0.43
NAMPT P43490 1/20 0.33
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
PLD2 O14939 1/20 0.30
PLD1 Q13393 1/20 0.30
KCNH2 Q12809 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
SCHEMBL14738278 0.84 DPP4 (0.37) DPP4DPP7
SCHEMBL9977795 0.78 DPP4 (0.49) DPP4DPP7NAMPTFAPDPP8
SCHEMBL14655307 0.77 DPP4 (0.41) DPP4DPP7NAMPTFAPDPP8
SCHEMBL24244520 0.77 KMT2A (0.42) DPP4DPP7NAMPTFAP
SCHEMBL15203565 0.75 DPP4 (0.38) DPP4DPP7DPP8DPP9
SCHEMBL20221436 0.75 DPP4 (0.46) DPP4DPP7NAMPTFAPDPP8
SCHEMBL28149214 0.73 DPP4 (0.47) DPP4DPP7NAMPTFAPDPP8
SCHEMBL14655943 0.71 VNN1 (0.41)
SCHEMBL15701184 0.71 DPP4 (0.46) DPP4DPP7NAMPTFAPDPP8
SCHEMBL4830838 0.71 DPP4 (0.46) DPP4DPP7NAMPTFAPDPP8

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
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed