SCHEMBL18655017

SCHEMBL18655017

CC1C=C(NC(=O)c2cnc3ccc(-c4ccccc4C(F)(F)F)nn23)C=C(OC[C@@H](O)CO)N1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 13/20 0.35
▸ TGFBR2 P37173 1/20 0.34
▸ CHRM4 P08173 1/20 0.33
▸ NTRK1 P04629 5/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL14897141 0.79 ATR (0.36) TGFBR1TGFBR2
SCHEMBL16265218 0.79 MKNK1 (0.35) TGFBR1TGFBR2CHRM4NTRK1
SCHEMBL14882176 0.79 TGFBR1 (0.40) TGFBR1CHRM4
SCHEMBL14882177 0.79 TGFBR1 (0.40) TGFBR1CHRM4
SCHEMBL14896914 0.79 TGFBR1 (0.40) TGFBR1CHRM4
SCHEMBL14897018 0.78 CSF1R (0.40) TGFBR1CHRM4NTRK1
SCHEMBL14882163 0.78 CSF1R (0.40) TGFBR1CHRM4NTRK1
SCHEMBL14881767 0.78 CSF1R (0.40) TGFBR1CHRM4NTRK1
SCHEMBL18655184 0.78 NTRK1 (0.33) TGFBR1TGFBR2CHRM4NTRK1
SCHEMBL14896911 0.78 TGFBR1 (0.36) TGFBR1CHRM4NTRK1

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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