SCHEMBL19258530

SCHEMBL19258530

COc1cc2c(Sc3cccc(N)c3)ncnc2cc1OCCN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.60
BRAF P15056 10/20 0.60
KDR P35968 4/20 0.54
EGFR P00533 3/20 0.54
RET P07949 1/20 0.54
KIF5B P33176 1/20 0.54
LCK P06239 1/20 0.54
EPHA2 P29317 2/20 0.54
EPHB4 P54760 2/20 0.54
ATM Q13315 2/20 0.52
EHMT2 Q96KQ7 1/20 0.51
EHMT1 Q9H9B1 1/20 0.51

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
SCHEMBL19916608 0.93 RAF1 (0.60) RAF1BRAFKDREGFRRET
SCHEMBL13680209 0.91 RET (0.52) RAF1BRAFKDREGFRRET
SCHEMBL13680228 0.91 BRAF (0.62) RAF1BRAFKDREGFRRET
SCHEMBL16692921 0.91 BRAF (0.54) RAF1BRAFKDREGFRRET
SCHEMBL16692928 0.89 BRAF (0.56) RAF1BRAFKDREGFRRET
SCHEMBL13680227 0.88 BRAF (0.64) RAF1BRAFKDREGFRRET
SCHEMBL16692912 0.87 KDM1A (0.66) RAF1BRAFKDREGFR
SCHEMBL17278105 0.87 RAF1 (0.68) RAF1BRAF
SCHEMBL1013319 0.85 KDM1A (0.67) RAF1BRAFKDREGFRRET
SCHEMBL1012180 0.84 KDR (0.73) RAF1BRAFKDREGFRRET

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