SCHEMBL19882987

SCHEMBL19882987

CC(N)C(=O)NC(CF)CF

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.48
▸ DPP8 Q6V1X1 4/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ PAX8 Q06710 1/20 0.41
▸ CTRB1 P17538 5/20 0.40
▸ SLC15A1 P46059 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.33
▸ DPP9 Q86TI2 3/20 0.32
▸ FAP Q12884 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ XIAP P98170 1/20 0.30
▸ BIRC2 Q13490 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
SCHEMBL11192511 0.86 DPP4 (0.41) DPP4DPP8DPP7PAX8CTRB1
Bromide SCHEMBL11534772 0.82 DPP7 (0.41) DPP4DPP8DPP7PAX8CTRB1
SCHEMBL19883041 0.81 CNR2 (0.34) —
SCHEMBL8271012 0.79 SLC7A5 (0.47) DPP4DPP8DPP7DPP9
Bromide SCHEMBL11534511 0.79 DPP7 (0.39) DPP4DPP8DPP7PAX8CTRB1
Bromide SCHEMBL11303866 0.75 NOD1 (0.44) DPP4DPP8DPP7PAX8CTRB1
SCHEMBL14391478 0.74 PAX8 (0.46) DPP4DPP8DPP7PAX8CTRB1
SCHEMBL13187499 0.72 DPP8 (0.50) DPP4DPP8DPP7PAX8SLC15A1
SCHEMBL10829688 0.72 — —
SCHEMBL6010131 0.72 — —

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
EP-3013805-B1 SULFOXIMINE SUBSTITUTED QUINAZOLINES AND THEIR USE AS MNK1 AND/OR MNK2 KINASE INHIBITORS EVOTEC INT GMBH (DE) 2018-02-21 — — EP disclosed
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