SCHEMBL1707692

SCHEMBL1707692

COC(=O)/C=C/c1cnc(N[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.40
LTA4H P09960 1/20 0.38
KMT2A Q03164 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ROCK2 O75116 2/20 0.37
CCR2 P41597 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL1706904 0.95 JAK2 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL1708479 0.90 KAT2B (0.41) KAT2BLTA4HKMT2AROCK2CCR2
SCHEMBL1708477 0.90 KAT2B (0.41) KAT2BLTA4HKMT2AROCK2CCR2
SCHEMBL1707646 0.89 ROCK2 (0.40) KAT2BLTA4HKMT2AROCK2CCR2
SCHEMBL1707426 0.89 HDAC1 (0.42) KAT2BLTA4HKMT2AJAK2JAK1
SCHEMBL1707419 0.89 HDAC1 (0.42) KAT2BLTA4HKMT2AJAK2JAK1
Hydrochloric Acid SCHEMBL1707668 0.88 HDAC1 (0.41) KAT2BLTA4HKMT2AJAK2JAK1
Hydrochloric Acid SCHEMBL1707666 0.88 HDAC1 (0.41) KAT2BLTA4HKMT2AJAK2JAK1
SCHEMBL1708478 0.87 KAT2B (0.51) KAT2BKMT2A
SCHEMBL1706792 0.87 KAT2B (0.51) KAT2BKMT2A

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-1981877-B1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2012-04-18 EP disclosed