SCHEMBL4782191

SCHEMBL4782191

Cc1ncc(NC(=O)c2cc(C#N)cc(C(C)(C)C)c2)cc1-n1cc(C(=O)NCCN2CCCC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMYD2 Q9NRG4 3/20 0.40
ABL1 P00519 1/20 0.39
PIP5K1A Q99755 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
JAK2 O60674 1/20 0.39
TEK Q02763 2/20 0.38
KIT P10721 1/20 0.38
SCN9A Q15858 2/20 0.36
NR1I2 O75469 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL4782188 0.90 MEN1 (0.42) MEN1KMT2ASMYD2ABL1PIP5K1A
SCHEMBL4880891 0.88 TEK (0.38) MEN1KMT2ATEKNR1I2RAF1
SCHEMBL4779210 0.87 TEK (0.41) TEKNR1I2RAF1BRAF
SCHEMBL4783784 0.85 TEK (0.40) TEKNR1I2RAF1BRAF
SCHEMBL4780039 0.85 TEK (0.40) TEKSCN9ANR1I2RAF1BRAF
SCHEMBL14293386 0.84 TEK (0.43) TEKNR1I2RAF1BRAF
SCHEMBL4781611 0.84 TEK (0.39) TEKKITNR1I2BRAF
SCHEMBL4782195 0.84 GPR119 (0.42) JAK2TEKNR1I2RAF1BRAF
SCHEMBL4780202 0.83 TEK (0.42) TEKNR1I2RAF1BRAF
SCHEMBL4782957 0.83 BRAF (0.42) KMT2ATEKBRAFALDH1A1EGLN1

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed