SCHEMBL22652907

SCHEMBL22652907

CNc1ncc2cc(-c3cc(NC(=O)N4CCCC4)ccc3C)cnc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 9/20 0.58
▸ RAF1 P04049 2/20 0.54
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP3A4 P08684 1/20 0.47
▸ KDR P35968 4/20 0.46
▸ LCK P06239 3/20 0.46
▸ MAPK14 Q16539 3/20 0.46
▸ GLA P06280 2/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ BCR P11274 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KRAS P01116 1/20 0.45

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
SCHEMBL23745180 0.91 ABL1 (0.59) ABL1RAF1NPC1KDRLCK
SCHEMBL22652906 0.87 RAF1 (0.69) ABL1RAF1RAB9ANPC1HTT
SCHEMBL22625576 0.87 RAF1 (0.60) ABL1RAF1KDRLCKMAPK14
SCHEMBL22612789 0.84 RAF1 (0.63) ABL1RAF1KDRLCKMAPK14
SCHEMBL29427251 0.84 RAF1 (0.63) ABL1RAF1KDRLCKMAPK14
SCHEMBL22612832 0.84 RAF1 (0.63) ABL1RAF1KDRLCKMAPK14
SCHEMBL22612799 0.84 RAF1 (0.63) ABL1RAF1KDRLCKMAPK14
SCHEMBL29427253 0.84 RAF1 (0.63) ABL1RAF1KDRLCKMAPK14
SCHEMBL22612716 0.82 RAF1 (0.61) ABL1RAF1KDRLCKMAPK14
SCHEMBL22612850 0.82 BRAF (0.57) ABL1RAF1KDRLCKMAPK14

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
WO-2020227020-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-11-12 — — WO disclosed
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