SCHEMBL16603010

SCHEMBL16603010

COCc1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CCC(N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSK P41240 3/20 0.59
▸ MAPK14 Q16539 3/20 0.59
▸ ABL1 P00519 11/20 0.57
▸ BCR P11274 7/20 0.57
▸ LYN P07948 3/20 0.55
▸ BRAF P15056 2/20 0.55
▸ EPHA2 P29317 2/20 0.55
▸ MAP3K20 Q9NYL2 2/20 0.55
▸ RIPK2 O43353 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ FYN P06241 1/20 0.55
▸ RET P07949 1/20 0.55
▸ PDGFRB P09619 1/20 0.55
▸ ARAF P10398 1/20 0.55
▸ NQO2 P16083 1/20 0.55
▸ EPHB2 P29323 1/20 0.55
▸ ABL2 P42684 1/20 0.55
▸ FRK P42685 1/20 0.55
▸ MAPKAPK2 P49137 1/20 0.55
▸ IRAK1 P51617 1/20 0.55

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
SCHEMBL13260779 0.93 CSK (0.51) CSKMAPK14ABL1BCRLYN
SCHEMBL15382290 0.91 CSK (0.59) CSKMAPK14ABL1BCRLYN
SCHEMBL3814061 0.90 CSK (0.59) CSKMAPK14ABL1BCRLYN
SCHEMBL17420206 0.89 ABL1 (0.59) CSKMAPK14ABL1BCRLYN
SCHEMBL17426694 0.89 ABL1 (0.59) CSKMAPK14ABL1BCRLYN
SCHEMBL17313610 0.83 CSK (0.56) CSKMAPK14ABL1BCRLYN
SCHEMBL15859941 0.83 CSK (0.56) CSKMAPK14ABL1BCRLYN
SCHEMBL3708724 0.82 CSK (0.62) CSKMAPK14ABL1BCRLYN
SCHEMBL17420231 0.82 CSK (0.60) CSKMAPK14ABL1BCRLYN
SCHEMBL15372817 0.82 CSK (0.60) CSKMAPK14ABL1BCRLYN

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
EP-2396325-B1 DERIVATIVES OF AZAINDOLES AS INHIBITORS OF PROTEIN KINASES ABL AND SRC ORIBASE PHARMA (FR) 2015-04-01 — — EP disclosed
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