SCHEMBL19258533

SCHEMBL19258533

COc1cc2c(Sc3ccccc3)ncnc2cc1OCCN1CCC(CCO)CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.66
RAF1 P04049 13/20 0.66
AURKA O14965 1/20 0.51
EGFR P00533 1/20 0.51
RET P07949 1/20 0.49
KIF5B P33176 1/20 0.49
KDR P35968 1/20 0.49
KIT P10721 1/20 0.49

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
SCHEMBL19258524 0.89 BRAF (0.64) BRAFRAF1AURKAEGFRRET
SCHEMBL19258532 0.85 RAF1 (0.60) BRAFRAF1AURKAEGFRRET
SCHEMBL19258118 0.85 BRAF (0.62) BRAFRAF1EGFRRETKIF5B
SCHEMBL13680227 0.84 BRAF (0.64) BRAFRAF1EGFRRETKIF5B
SCHEMBL16692928 0.81 BRAF (0.56) BRAFRAF1EGFRRETKIF5B
SCHEMBL19258211 0.81 BRAF (0.61) BRAFRAF1AURKAEGFRKDR
SCHEMBL17920819 0.80 BRAF (1.00) BRAFRAF1
SCHEMBL13680228 0.80 BRAF (0.62) BRAFRAF1EGFRRETKIF5B
SCHEMBL16692920 0.79 BRAF (0.71) BRAFRAF1
SCHEMBL19258478 0.77 BRAF (0.64) BRAFRAF1EGFRKDR

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
US-9730937-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2017-08-15 US disclosed