SCHEMBL19258532

SCHEMBL19258532

COc1cc2c(Sc3ccccc3)ncnc2cc1OCCN1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.60
BRAF P15056 7/20 0.60
KIT P10721 2/20 0.58
AURKA O14965 1/20 0.57
KDM1A O60341 3/20 0.54
EGFR P00533 5/20 0.53
KDR P35968 3/20 0.53
RET P07949 1/20 0.53
KIF5B P33176 1/20 0.53
LCK P06239 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53

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
SCHEMBL19258211 0.95 BRAF (0.61) RAF1BRAFKITAURKAKDM1A
SCHEMBL19916608 0.90 RAF1 (0.60) RAF1BRAFKITKDM1AEGFR
SCHEMBL19258118 0.87 BRAF (0.62) RAF1BRAFKDM1AEGFRKDR
SCHEMBL19258533 0.85 BRAF (0.66) RAF1BRAFKITAURKAEGFR
SCHEMBL19258478 0.84 BRAF (0.64) RAF1BRAFKDM1AEGFRKDR
SCHEMBL13680228 0.82 BRAF (0.62) RAF1BRAFEGFRKDRRET
SCHEMBL19258524 0.82 BRAF (0.64) RAF1BRAFAURKAKDM1AEGFR
SCHEMBL16692921 0.82 BRAF (0.54) RAF1BRAFKDM1AEGFRKDR
SCHEMBL19258530 0.82 RAF1 (0.60) RAF1BRAFEGFRKDRRET
SCHEMBL7211076 0.81 KDR (0.66) RAF1BRAFKITAURKAEGFR

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