SCHEMBL7362037

SCHEMBL7362037

CC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(-c3cccc(Nc4ncccc4N)c3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.46
EGFR P00533 1/20 0.42
MCHR1 Q99705 1/20 0.41
BTK Q06187 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KDM1A O60341 1/20 0.39
DYRK3 O43781 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL7362038 1.00 HDAC1 (0.46) HDAC1EGFRMCHR1BTKMEN1
SCHEMBL7362935 0.86 KMT2A (0.46) EGFRMEN1NPC1ALDH1A1LMNA
SCHEMBL7362930 0.86 KMT2A (0.46) EGFRMEN1NPC1ALDH1A1LMNA
SCHEMBL7361613 0.86 EGFR (0.41) HDAC1EGFRMEN1NPC1ALDH1A1
SCHEMBL7361610 0.86 EGFR (0.41) HDAC1EGFRMEN1NPC1ALDH1A1
SCHEMBL6800292 0.81 ABCG2 (0.55) EGFRMEN1NPC1ALDH1A1MAPK1
SCHEMBL7367589 0.81 MMP1 (0.45) EGFRKDM1ALTB4RHDAC4MEF2D
SCHEMBL7364163 0.80 JAK3 (0.48) HDAC1EGFRBTKMEN1NPC1
SCHEMBL7364170 0.80 JAK3 (0.48) HDAC1EGFRBTKMEN1NPC1
SCHEMBL7486921 0.80 LTB4R (0.41) HDAC1EGFRBTKNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874845-B1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 EP disclosed
US-6117875-A Pyrido (2,3-B) pyrazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-09-12 US disclosed
EP-0874845-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-04 EP disclosed
WO-1997024355-A1 PYRIDO (2,3-B) PYRAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-10 WO disclosed