SCHEMBL18655257

SCHEMBL18655257

Cc1cccc(NC(=O)c2cnc3c(COc4nccc(NC(=O)c5cnc6ccc(-c7ccccc7OC(F)(F)F)nn56)n4)cc(-c4ccccc4OC(F)(F)F)nn23)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 6/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ RIPK1 Q13546 5/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ FYN P06241 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DYRK1A Q13627 2/20 0.34

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
SCHEMBL14896950 0.86 TGFBR1 (0.53) TGFBR1SCN10ARIPK1FYNDYRK1A
SCHEMBL14896948 0.82 SCN10A (0.45) TGFBR1SCN10ARIPK1FYNDYRK1A
SCHEMBL14897307 0.79 TGFBR1 (0.46) TGFBR1SCN10ARIPK1KMT2AFYN
SCHEMBL14897191 0.78 TGFBR1 (0.50) TGFBR1SCN10ARIPK1FYNDYRK1A
SCHEMBL14896829 0.77 TGFBR1 (0.45) TGFBR1SCN10ARIPK1FYNDYRK1A
SCHEMBL14896687 0.76 TGFBR1 (0.44) TGFBR1SCN10AKMT2AFYNSMN1; SMN2
SCHEMBL14896694 0.76 FYN (0.46) TGFBR1SCN10ARIPK1FYNDYRK1A
SCHEMBL14896786 0.76 TGFBR1 (0.47) TGFBR1SCN10ARIPK1FYNDYRK1A
SCHEMBL14897001 0.76 TGFBR1 (0.47) TGFBR1SCN10ARIPK1FYNDYRK1A
SCHEMBL14896997 0.75 TGFBR1 (0.44) TGFBR1SCN10ARIPK1FYNDYRK1A

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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