SCHEMBL18654753

SCHEMBL18654753

CC1=CC=C(NC(=O)c2cnc3ccc(-c4ccccc4OC(F)(F)F)nn23)NN1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 10/20 0.42
▸ TGFBR1 P36897 3/20 0.41
▸ RIPK1 Q13546 3/20 0.40
▸ DYRK1A Q13627 2/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL18654758 0.87 TGFBR1 (0.43) FYNTGFBR1NTRK1
SCHEMBL18655294 0.86 FYN (0.40) FYNTGFBR1RIPK1DYRK1ASCN10A
SCHEMBL18654742 0.84 RIPK1 (0.40) FYNRIPK1DYRK1ANTRK1SCN10A
SCHEMBL16265189 0.83 FYN (0.47) FYNTGFBR1RIPK1DYRK1ASCN10A
SCHEMBL14897001 0.81 TGFBR1 (0.47) FYNTGFBR1RIPK1DYRK1ANTRK1
SCHEMBL14896786 0.81 TGFBR1 (0.47) FYNTGFBR1RIPK1DYRK1ANTRK1
SCHEMBL14896950 0.81 TGFBR1 (0.53) FYNTGFBR1RIPK1DYRK1ASCN10A
SCHEMBL14896997 0.81 TGFBR1 (0.44) FYNTGFBR1RIPK1DYRK1ANTRK1
SCHEMBL14896754 0.81 FYN (0.43) FYNTGFBR1DYRK1A
SCHEMBL14896687 0.80 TGFBR1 (0.44) FYNTGFBR1DYRK1ASCN10A

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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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