SCHEMBL18654863

SCHEMBL18654863

Cc1nc2ccc(-c3ccccc3OC(F)(F)F)nn2c1C(=O)NC1=CC=CNN1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 11/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ SCN10A Q9Y5Y9 3/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ KIT P10721 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
SCHEMBL18654645 0.88 SCN9A (0.35) NTRK1SCN10ASCN9ASCN5ASCN2A
SCHEMBL18654742 0.88 RIPK1 (0.40) RIPK1NTRK1SCN10ASCN9ASCN5A
SCHEMBL18654323 0.87 NTRK1 (0.35) NTRK1CSNK1DCSNK1E
SCHEMBL18654626 0.86 CSNK1D (0.37) CSNK1DCSNK1E
SCHEMBL18654740 0.86 RIPK1 (0.40) RIPK1NTRK1FYN
SCHEMBL18654723 0.84 EPHB3 (0.40) CSNK1DCSNK1E
SCHEMBL18654658 0.84 EPHB3 (0.35) CSNK1DCSNK1E
SCHEMBL18654629 0.84 MAPT (0.39) RIPK1NTRK1SCN9A
SCHEMBL18655294 0.83 FYN (0.40) RIPK1SCN10ADYRK1AFYN
SCHEMBL14896757 0.83 NAMPT (0.45) RIPK1SCN10ASCN9ASCN5ASCN2A

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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