SCHEMBL18655240

SCHEMBL18655240

COC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4ccccc4F)nn23)NN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 5/20 0.36
▸ CSNK1E P49674 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MET P08581 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 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
SCHEMBL18654739 0.91 POLB (0.35) CSNK1DCSNK1EKDM4EPOLBFYN
SCHEMBL18654802 0.91 ADORA2A (0.36) CSNK1DCSNK1EKDM4EADORA3ADORA2A
SCHEMBL18654429 0.89 EPHB3 (0.39) CSNK1DCSNK1EPOLBSMN1; SMN2FYN
SCHEMBL18655200 0.89 MAPT (0.37) CSNK1DCSNK1EKDM4EPOLBSMN1; SMN2
SCHEMBL18655239 0.89 CSNK1D (0.38) CSNK1DCSNK1EADORA3ADORA2AADORA2B
SCHEMBL18654743 0.89 MAPT (0.36) CSNK1DCSNK1EKDM4ESMN1; SMN2FYN
SCHEMBL18654740 0.87 RIPK1 (0.40) KDM4EGLAPOLBFYNMAPT
SCHEMBL18654986 0.85 MAPT (0.43) KDM4EPOLBSMN1; SMN2FYNALDH1A1
SCHEMBL18654626 0.84 CSNK1D (0.37) CSNK1DCSNK1EGLAADORA3ADORA2A
SCHEMBL18654777 0.83 FYN (0.39) KDM4EPOLBADORA2ASMN1; SMN2FYN

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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