SCHEMBL14964654

SCHEMBL14964654

Cc1nc2c(-c3cccnc3Nc3c(F)ccc(CCCN[SH](=O)=O)c3F)ncnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.43
KDR P35968 2/20 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
SCHEMBL14964674 0.90 BRAF (0.41) BRAFKDR
SCHEMBL14964615 0.87 BRAF (0.47) BRAFKDR
SCHEMBL14964634 0.79 BRAF (0.40) BRAFKDR
SCHEMBL14964643 0.79 BRAF (0.42) BRAFKDR
SCHEMBL14964632 0.76 BRAF (0.39) BRAFKDR
SCHEMBL16107090 0.75 BRAF (0.70) BRAF
SCHEMBL14964576 0.70 BRAF (0.46) BRAFKDR
SCHEMBL14964590 0.70 KDR (0.42) BRAFKDR
SCHEMBL14964620 0.67 CYP1A2 (0.42) BRAF
SCHEMBL14964642 0.67 CYP1A2 (0.40) BRAF

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-2780341-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Centaurus Biopharma Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071865-A1 KINASE MODULATING COMPOUNDS, COMPOSITIONS CONTAINING THE SAME AND USE THEREOF CENTAURUS BIOPHARMA CO., LTD. (CN) 2013-05-23 WO disclosed