SCHEMBL19258211

SCHEMBL19258211

COc1cc2c(Sc3ccccc3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.61
RAF1 P04049 8/20 0.61
KDM1A O60341 2/20 0.61
KDR P35968 6/20 0.59
EGFR P00533 5/20 0.59
KIT P10721 2/20 0.59
FLT4 P35916 4/20 0.54
FGFR1 P11362 2/20 0.54
FLT1 P17948 2/20 0.54
AURKA O14965 2/20 0.53
PDGFRB P09619 2/20 0.53
TEK Q02763 2/20 0.53
AURKB Q96GD4 2/20 0.53
ERBB2 P04626 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
SCHEMBL19258532 0.95 RAF1 (0.60) BRAFRAF1KDM1AKDREGFR
SCHEMBL19258118 0.92 BRAF (0.62) BRAFRAF1KDM1AKDREGFR
SCHEMBL19258478 0.89 BRAF (0.64) BRAFRAF1KDM1AKDREGFR
SCHEMBL19258524 0.87 BRAF (0.64) BRAFRAF1KDM1AKDREGFR
SCHEMBL19916608 0.85 RAF1 (0.60) BRAFRAF1KDM1AKDREGFR
SCHEMBL1064552 0.81 BRAF (0.71) BRAFRAF1
SCHEMBL19258107 0.81 KDR (0.73) BRAFRAF1KDREGFRKIT
SCHEMBL19258533 0.81 BRAF (0.66) BRAFRAF1KDREGFRKIT
SCHEMBL16692912 0.81 KDM1A (0.66) BRAFRAF1KDM1AKDREGFR
Hydrochloric Acid SCHEMBL30891785 0.80 EGFR (0.84) KDREGFRFLT4FGFR1FLT1

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