SCHEMBL31024070

SCHEMBL31024070

COc1cccc(-c2ccc3cc(Br)nn3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
PIK3CG P48736 1/20 0.48
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CASP1 P29466 2/20 0.46
RAB9A P51151 2/20 0.46
CASP7 P55210 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
MAOB P27338 3/20 0.44
XDH P47989 1/20 0.44
ALDH1A3 P47895 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
DYRK1A Q13627 1/20 0.42

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
SCHEMBL31024093 0.78 TAAR1 (0.41) MAPTSMN1; SMN2KMT2ALMNACYP3A4
SCHEMBL31024092 0.78 BRD4 (0.52) BRD4PIK3CGTP53MAPTKDM4E
SCHEMBL25416819 0.78 BRD4 (0.52) BRD4PIK3CGTP53MAPTKDM4E
SCHEMBL30943173 0.77 TP53 (0.48) BRD4TP53MAPTKDM4ENPC1
SCHEMBL23320411 0.77 TP53 (0.48) BRD4TP53MAPTKDM4ENPC1
SCHEMBL31024068 0.75 PIK3CD (0.46) PIK3CGTP53KDM4ENPC1ALDH1A1
SCHEMBL25417436 0.74 KDR (0.49) BRD4PIK3CGTP53MAPTKDM4E
SCHEMBL31024064 0.72 CYP2A6 (0.46) PIK3CGNPC1ALDH1A1RAB9AMEN1
SCHEMBL31024053 0.72 CYP2A6 (0.46) PIK3CGNPC1ALDH1A1RAB9AMEN1
SCHEMBL23320368 0.71 ALDH1A1 (0.48) TP53MAPTKDM4ENPC1ALDH1A1

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-118475580-A Platelet-derived growth factor receptor (PDGFR) alpha inhibitors and uses thereof 普罗根托斯治疗公司 2024-08-09 CN disclosed