SCHEMBL29403364

SCHEMBL29403364

Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc2cc(-c3ccc(F)cn3)cnc2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ GRM5 P41594 6/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ RAB9A P51151 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ MCHR1 Q99705 2/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL24571464 1.00 MAPT (0.50) MAPTGRM5NTRK1RAB9ATRPV1
SCHEMBL22659819 0.85 MCHR1 (0.41) NTRK1TRPV1MCHR1HTR2C
SCHEMBL22659299 0.83 NTRK1 (0.49) MAPTGRM5NTRK1RAB9ATRPV1
SCHEMBL29403375 0.83 NTRK1 (0.49) MAPTGRM5NTRK1RAB9ATRPV1
SCHEMBL22659356 0.82 NTRK1 (0.51) MAPTGRM5NTRK1RAB9APOLB
SCHEMBL22659881 0.80 ABL1 (0.46) MAPTGRM5NTRK1MCHR1HTR2C
SCHEMBL24571207 0.79 ABL1 (0.42) MAPTGRM5NTRK1
SCHEMBL24571213 0.77 NTRK1 (0.47) MAPTGRM5NTRK1MCHR1HTR2C
SCHEMBL29406420 0.77 NTRK1 (0.47) MAPTGRM5NTRK1MCHR1HTR2C
SCHEMBL24571337 0.76 SCN9A (0.45) NTRK1TRPV1

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-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 — — EP disclosed
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