SCHEMBL18654986

SCHEMBL18654986

COC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4cccc(F)c4)nn23)NN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ FYN P06241 6/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL18654777 0.91 FYN (0.39) MAPTPOLBTP53FYNSMN1; SMN2
SCHEMBL18655158 0.91 TP53 (0.42) MAPTPOLBTP53FYNSMN1; SMN2
SCHEMBL18654725 0.88 DYRK1A (0.51) FYN
SCHEMBL18655240 0.85 CSNK1D (0.36) MAPTPOLBFYNSMN1; SMN2KDM4E
SCHEMBL18654739 0.83 POLB (0.35) MAPTPOLBTP53FYNKDM4E
SCHEMBL18655200 0.81 MAPT (0.37) MAPTPOLBTP53FYNSMN1; SMN2
SCHEMBL18654429 0.81 EPHB3 (0.39) MAPTPOLBTP53FYNSMN1; SMN2
SCHEMBL18654743 0.81 MAPT (0.36) MAPTTP53FYNSMN1; SMN2KDM4E
SCHEMBL14896967 0.80 FYN (0.43) MAPTPOLBTP53FYNSMN1; SMN2
SCHEMBL18654782 0.80 KDM4E (0.41) MAPTPOLBTP53FYNSMN1; SMN2

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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