SCHEMBL28025690

SCHEMBL28025690

CC(C)N(N)C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.56
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 2/20 0.48
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
F2R P25116 1/20 0.47
TP53 P04637 2/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 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
SCHEMBL10942832 0.81 CA12 (0.59) MTORMEN1KMT2AHSD17B10NAPRT
SCHEMBL9762303 0.80 CA1 (0.51) KMT2AALDH1A1MAPTCA12CA1
SCHEMBL11754900 0.79 MTOR (0.72) MTORMEN1KMT2AHSD17B10NAPRT
SCHEMBL7608931 0.79 MTOR (0.57) MTORMEN1KMT2AHSD17B10NAPRT
SCHEMBL251878 0.79 MTOR (0.56) MTORMEN1KMT2AHSD17B10NAPRT
SCHEMBL6206532 0.78 SMN1; SMN2 (0.56) MTORMEN1KMT2AHSD17B10NAPRT
SCHEMBL11070019 0.78 TAS2R38 (0.48) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL9340888 0.78 MTOR (0.56) MTORMEN1KMT2AHSD17B10NAPRT
SCHEMBL27342617 0.76 MTOR (0.58) MTORMEN1KMT2AHSD17B10NAPRT
SCHEMBL11617578 0.74 MEN1 (0.62) MTORMEN1KMT2AHSD17B10NAPRT

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
CN-102858767-B As the aminopyrimidine of SYK inhibitor MERCK SHARP & DOHME CORP. (US) 2015-08-19 CN disclosed