SCHEMBL671748

SCHEMBL671748

CCC(C)(C#Cc1cc(N(C)c2cnn(C)c2)c(C(=O)OC)s1)CC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.31
NR1I2 O75469 2/20 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
SCHEMBL15511618 0.90 NR1I2 (0.35) RAF1NR1I2
SCHEMBL671749 0.77 MEN1 (0.36) RAF1
SCHEMBL669904 0.71 RAF1 (0.43) RAF1NR1I2
SCHEMBL675139 0.71 NR1I2 (0.34) RAF1NR1I2
SCHEMBL668933 0.71 MEN1 (0.38) RAF1NR1I2
SCHEMBL671251 0.69 NR1I2 (0.34) RAF1NR1I2
SCHEMBL675371 0.68 CYP2E1 (0.53) NR1I2
SCHEMBL669376 0.68 CYP2E1 (0.53) NR1I2
SCHEMBL669609 0.68 MEN1 (0.38) RAF1
SCHEMBL673731 0.68 RAF1 (0.40) RAF1

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-2606041-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-06-26 EP disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 WO disclosed