SCHEMBL18654739

SCHEMBL18654739

COC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4ccccc4C)nn23)NN1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ FYN P06241 2/20 0.35
▸ MAPT P10636 7/20 0.34
▸ TP53 P04637 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CSNK1D P48730 2/20 0.33
▸ CSNK1E P49674 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ EPHB3 P54753 1/20 0.32

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
SCHEMBL18655240 0.91 CSNK1D (0.36) POLBFYNMAPTCSNK1DCSNK1E
SCHEMBL18655200 0.91 MAPT (0.37) POLBFYNMAPTTP53CSNK1D
SCHEMBL18654429 0.91 EPHB3 (0.39) POLBFYNMAPTTP53CSNK1D
SCHEMBL18654797 0.90 MAPT (0.37) POLBMAPTTP53KDM4ETGFBR1
SCHEMBL18654743 0.89 MAPT (0.36) FYNMAPTTP53LMNACSNK1D
SCHEMBL18654740 0.87 RIPK1 (0.40) POLBFYNMAPTTP53KDM4E
SCHEMBL18654777 0.84 FYN (0.39) POLBFYNMAPTTP53KDM4E
SCHEMBL18654986 0.83 MAPT (0.43) POLBFYNMAPTTP53KDM4E
SCHEMBL18654802 0.81 ADORA2A (0.36) MAPTTP53CSNK1DCSNK1EKDM4E
SCHEMBL18654725 0.80 DYRK1A (0.51) FYN

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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