SCHEMBL28967992

SCHEMBL28967992

COc1cc2ncnc(Oc3cccc4c(NC(=O)Nc5cc(C(C)(C)C)on5)cccc34)c2cc1OC

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.84
RAF1 P04049 8/20 0.76
KDR P35968 2/20 0.71
FLT3 P36888 2/20 0.68
RIPK2 O43353 1/20 0.64
JAK2 O60674 1/20 0.64
ABL1 P00519 1/20 0.64
EGFR P00533 1/20 0.64
LCK P06239 1/20 0.64
CSF1R P07333 1/20 0.64
LYN P07948 1/20 0.64
RET P07949 1/20 0.64
MET P08581 1/20 0.64
PDGFRB P09619 1/20 0.64
KIT P10721 1/20 0.64
BCR P11274 1/20 0.64
FER P16591 1/20 0.64
FLT1 P17948 1/20 0.64
EPHA2 P29317 1/20 0.64
CYP2C19 P33261 1/20 0.64

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
SCHEMBL30418114 1.00 BRAF (0.84) BRAFRAF1KDRFLT3RIPK2
SCHEMBL1012935 0.91 BRAF (1.00) BRAFRAF1KDRFLT3RIPK2
SCHEMBL28967999 0.89 KDR (0.90) BRAFRAF1KDRFLT3RIPK2
SCHEMBL30418040 0.89 KDR (0.90) BRAFRAF1KDRFLT3RIPK2
SCHEMBL28967991 0.88 BRAF (0.76) BRAFRAF1KDRFLT3RIPK2
SCHEMBL30418443 0.88 BRAF (0.76) BRAFRAF1KDRFLT3RIPK2
SCHEMBL1012302 0.86 BRAF (1.00) BRAFRAF1KDRFLT3RIPK2
SCHEMBL1011641 0.85 BRAF (0.89) BRAFRAF1KDRFLT3RIPK2
SCHEMBL1013128 0.83 BRAF (1.00) BRAFRAF1FLT3
SCHEMBL1012288 0.83 BRAF (1.00) BRAFRAF1KDRFLT3RIPK2

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
CN-115778960-A Application of heteroaromatic ring derivative in preparation of medicine for treating or preventing cachexia 广州六顺生物科技有限公司 2023-03-14 CN disclosed