SCHEMBL18654743

SCHEMBL18654743

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ F2RL3 Q96RI0 1/20 0.36
▸ NTRK1 P04629 6/20 0.35
▸ ATR Q13535 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ RIPK1 Q13546 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
SCHEMBL18654741 0.91 MAPT (0.35) MAPTNTRK1ATRTP53HDAC1
SCHEMBL18654415 0.90 TP53 (0.36) NTRK1ATRTP53HDAC1CSNK1D
SCHEMBL18655240 0.89 CSNK1D (0.36) MAPTCSNK1DCSNK1EKDM4EALDH1A1
SCHEMBL18654739 0.89 POLB (0.35) MAPTTP53CSNK1DCSNK1EKDM4E
SCHEMBL18654740 0.88 RIPK1 (0.40) MAPTNTRK1TP53KDM4EFYN
SCHEMBL18654429 0.87 EPHB3 (0.39) MAPTTP53CSNK1DCSNK1EALDH1A1
SCHEMBL18655200 0.87 MAPT (0.37) MAPTTP53CSNK1DCSNK1EKDM4E
SCHEMBL18654323 0.84 NTRK1 (0.35) NTRK1ATRTP53HDAC1CSNK1D
SCHEMBL18654986 0.81 MAPT (0.43) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL18654725 0.81 DYRK1A (0.51) FYNRIPK1

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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