SCHEMBL18654740

SCHEMBL18654740

COC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4ccccc4OC(F)(F)F)nn23)NN1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 10/20 0.40
▸ POLB P06746 2/20 0.37
▸ FYN P06241 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NTRK1 P04629 1/20 0.35

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
SCHEMBL18654629 0.91 MAPT (0.39) RIPK1MAPTTP53NTRK1
SCHEMBL18654742 0.91 RIPK1 (0.40) RIPK1FYNNTRK1
SCHEMBL18654743 0.88 MAPT (0.36) RIPK1FYNKDM4EMAPTTP53
SCHEMBL18655240 0.87 CSNK1D (0.36) POLBFYNKDM4EGLAMAPT
SCHEMBL18654739 0.87 POLB (0.35) POLBFYNKDM4EMAPTTP53
SCHEMBL18654863 0.86 RIPK1 (0.37) RIPK1FYNNTRK1
SCHEMBL18655200 0.85 MAPT (0.37) POLBFYNKDM4EMAPTTP53
SCHEMBL18654429 0.85 EPHB3 (0.39) POLBFYNMAPTTP53
SCHEMBL18654725 0.85 DYRK1A (0.51) RIPK1FYN
SCHEMBL18654777 0.81 FYN (0.39) POLBFYNKDM4EMAPTTP53

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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