SCHEMBL4789707

SCHEMBL4789707

CNc1c(C(=O)Nc2cc(Nc3cccc(Cl)c3)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.47
JAK1 P23458 10/20 0.46
JAK2 O60674 8/20 0.46
TYK2 P29597 8/20 0.46
JAK3 P52333 7/20 0.46
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
BTK Q06187 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL4789713 0.91 BMX (0.41) BRAFJAK1JAK2TYK2JAK3
SCHEMBL4789710 0.89 BRAF (0.52) BRAFMEN1KMT2ARXFP1BTK
SCHEMBL4789786 0.89 EGFR (0.43) BRAFJAK1JAK2TYK2JAK3
SCHEMBL4789712 0.88 BMX (0.49) JAK1JAK2TYK2JAK3MAPT
SCHEMBL4788889 0.87 BMX (0.53) BRAFRXFP1MAPTBTKABL1
SCHEMBL4788092 0.84 BRAF (0.53) BRAFJAK3BTK
SCHEMBL4788852 0.83 BRAF (0.43) BRAFABL1
SCHEMBL4789714 0.82 BRAF (0.48) BRAFKMT2ARXFP1MAPTABL1
SCHEMBL4788641 0.82 LCK (0.49) BRAFJAK3KMT2AABL1
SCHEMBL14027871 0.80 JAK1 (0.42) BRAFJAK1JAK2TYK2JAK3

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed