SCHEMBL18654526

SCHEMBL18654526

CC1C=CC=C(NC(=O)c2cnc3ccc(-c4ccccc4OCC(O)CO)nn23)N1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 10/20 0.38
▸ TGFBR1 P36897 7/20 0.35
▸ TGFBR2 P37173 1/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ CSF1R P07333 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
SCHEMBL14896830 0.80 TGFBR1 (0.40) FYNTGFBR1
SCHEMBL14897290 0.80 TGFBR1 (0.40) FYNTGFBR1
SCHEMBL18655184 0.79 NTRK1 (0.33) FYNTGFBR1TGFBR2
SCHEMBL14896883 0.79 TGFBR1 (0.44) FYNTGFBR1CSF1R
SCHEMBL14897519 0.79 CHRNB2 (0.42) FYNTGFBR1
SCHEMBL14897103 0.79 TGFBR1 (0.44) FYNTGFBR1CSF1R
SCHEMBL14897447 0.79 TGFBR1 (0.42) FYNTGFBR1TGFBR2CSF1R
SCHEMBL14896831 0.79 TGFBR1 (0.50) FYNTGFBR1CSF1R
SCHEMBL14897464 0.79 FYN (0.41) FYNTGFBR1
SCHEMBL14896879 0.79 TGFBR1 (0.50) FYNTGFBR1CSF1R

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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