SCHEMBL170924

SCHEMBL170924

Cc1ccnc(C(=O)NCCC(C)(C)N)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CSF1R P07333 1/20 0.42
FLT3 P36888 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
CTSA P10619 2/20 0.42
MMP13 P45452 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
ANO1 Q5XXA6 3/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
POLB P06746 1/20 0.39
GRM5 P41594 1/20 0.38

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
SCHEMBL168844 0.82 MAOB (0.51) PSMB8MEN1KMT2AFLT3LOXL2
SCHEMBL13852609 0.82 KMT2A (0.52) PSMB8MEN1KMT2ACTSAMMP13
SCHEMBL13602358 0.80 KMT2A (0.53) PSMB8MEN1KMT2AFLT3CTSA
SCHEMBL171084 0.78 HPGD (0.50) PSMB8MEN1KMT2ALOXL2CTSA
SCHEMBL170923 0.78 KMT2A (0.47) PSMB8MEN1KMT2ALOXL2CTSA
SCHEMBL10274536 0.77 KMT2A (0.50) PSMB8MEN1KMT2ACSF1RFLT3
SCHEMBL170568 0.77 HTT (0.57) PSMB8MEN1KMT2AFLT3CTSA
SCHEMBL107759 0.77 CTSA (0.50) MEN1KMT2ACSF1RFLT3CTSA
SCHEMBL24405150 0.75 EGLN1 (0.49) PSMB8MEN1KMT2ACSF1RFLT3
SCHEMBL10274537 0.75 LOXL2 (0.66) PSMB8MEN1KMT2ACSF1RFLT3

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-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed