SCHEMBL13550147

SCHEMBL13550147

CN(C)Cc1ccc(Nc2ncc3cc(/C=C/CI)ccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 13/20 0.47
▸ IGF1R P08069 1/20 0.38
▸ CAMK2D Q13557 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ WEE1 P30291 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ CDK1 P06493 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL12123993 0.89 BRAF (0.47) BRAFIGF1RCAMK2DCSF1REGFR
SCHEMBL12123839 0.79 BRAF (0.46) BRAFIGF1RCAMK2DCSF1REGFR
SCHEMBL12120858 0.78 BRAF (0.53) BRAFIGF1RCAMK2DCSF1RWEE1
SCHEMBL12124052 0.78 BRAF (0.45) BRAFIGF1RCAMK2DCSF1REGFR
SCHEMBL12671538 0.76 BRAF (0.50) BRAFIGF1RCAMK2DCSF1RWEE1
SCHEMBL16497192 0.72 SLC2A1 (0.38) BRAFCAMK2DCSF1REGFRITK
SCHEMBL13534038 0.72 SLC2A1 (0.38) BRAFCAMK2DCSF1REGFRITK
SCHEMBL1845366 0.72 PDPK1 (0.47) BRAFCAMK2DCSF1R
SCHEMBL1845368 0.72 PDPK1 (0.47) BRAFCAMK2DCSF1R
SCHEMBL16497499 0.71 PDPK1 (0.39) BRAFCAMK2DCSF1R

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
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 — — WO disclosed
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