SCHEMBL18403161

SCHEMBL18403161

COC(=O)c1cc2cc(CCc3ccc(C)c(NC(=O)c4ccc(CN5CCC(C)C5)c(C(F)(F)F)c4)c3)cnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.46
▸ EGFR P00533 10/20 0.46
▸ CSK P41240 2/20 0.45
▸ MAPK14 Q16539 2/20 0.45
▸ ABL1 P00519 5/20 0.44
▸ BCR P11274 3/20 0.44
▸ LYN P07948 3/20 0.43
▸ RIPK2 O43353 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ ARAF P10398 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ EPHA2 P29317 1/20 0.43
▸ EPHB2 P29323 1/20 0.43
▸ ABL2 P42684 1/20 0.43
▸ FRK P42685 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ IRAK1 P51617 1/20 0.43

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
SCHEMBL17324327 0.92 ABL1 (0.52) BRAFEGFRCSKMAPK14ABL1
SCHEMBL17313596 0.92 ABL1 (0.52) BRAFEGFRCSKMAPK14ABL1
SCHEMBL18403089 0.90 MAPK14 (0.52) BRAFEGFRCSKMAPK14ABL1
SCHEMBL18403164 0.89 MAP3K20 (0.54) BRAFEGFRCSKMAPK14ABL1
SCHEMBL18403165 0.86 MAPK14 (0.47) BRAFEGFRCSKMAPK14ABL1
SCHEMBL18403131 0.86 MAPK14 (0.50) BRAFEGFRCSKMAPK14ABL1
SCHEMBL18403051 0.85 CSK (0.49) BRAFEGFRCSKMAPK14ABL1
SCHEMBL18403163 0.84 CSK (0.49) BRAFEGFRCSKMAPK14ABL1
SCHEMBL17324210 0.83 CSK (0.59) BRAFEGFRCSKMAPK14ABL1
SCHEMBL17313594 0.83 CSK (0.59) BRAFEGFRCSKMAPK14ABL1

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-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 — — US disclosed
Send feedback