SCHEMBL7471698

SCHEMBL7471698

CCc1ccc(Nc2ncc(C)c(-c3ccncc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
JAK2 O60674 7/20 0.47
FLT3 P36888 6/20 0.47
JAK3 P52333 4/20 0.47
JAK1 P23458 3/20 0.47
TYK2 P29597 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
AXL P30530 3/20 0.46
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
KDM4E B2RXH2 1/20 0.43
STAT1 P42224 1/20 0.43
BRAF P15056 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
SCHEMBL10974957 0.83 JAK2 (0.53) MEN1KMT2AJAK2JAK3JAK1
SCHEMBL7216465 0.81 PTGS2 (0.54) MEN1KMT2AJAK2TYK2NPC1
SCHEMBL4562555 0.78 JAK2 (0.59) JAK2FLT3JAK3JAK1TYK2
SCHEMBL7465536 0.77 ABL1 (0.54) MEN1KMT2AJAK2JAK3NPC1
SCHEMBL4559669 0.75 JAK1 (0.59) JAK2JAK3JAK1TYK2AXL
SCHEMBL27955749 0.73 AURKA (0.49)
SCHEMBL11478969 0.71 RAB9A (0.65) MEN1KMT2ANPC1RAB9A
SCHEMBL6034237 0.71 KDR (0.76) RAB9A
SCHEMBL2448957 0.69 SYK (0.59) JAK3JAK1NPC1RAB9ASTK17B
SCHEMBL7475710 0.68 ABL1 (0.71)

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-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed