SCHEMBL16673760

SCHEMBL16673760

O=C(O)Nc1cc(C2CCC2)nn1-c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 18/20 0.69
KCNJ3 P48549 18/20 0.69
KCNJ5 P48544 13/20 0.69
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL4513114 0.94 KCNJ6 (0.72) KCNJ6KCNJ3KCNJ5
SCHEMBL1013226 0.85 KCNJ6 (0.61) KCNJ6KCNJ3KCNJ5
SCHEMBL23203519 0.84 KCNJ6 (0.65) KCNJ6KCNJ3KCNJ5NPC1LMNA
SCHEMBL25793174 0.84 KCNJ6 (0.69) KCNJ6KCNJ3KCNJ5SMN1; SMN2
SCHEMBL13234482 0.82 KCNJ6 (0.84) KCNJ6KCNJ3KCNJ5
SCHEMBL1010934 0.80 KCNJ6 (0.63) KCNJ6KCNJ3KCNJ5
SCHEMBL27596969 0.79 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5SMN1; SMN2
SCHEMBL13234475 0.77 KCNJ6 (0.92) KCNJ6KCNJ3KCNJ5
SCHEMBL19818825 0.77 KCNJ6 (0.63) KCNJ6KCNJ3KCNJ5
SCHEMBL16585546 0.76 KCNJ6 (0.62) KCNJ6KCNJ3KCNJ5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed