SCHEMBL29366555

SCHEMBL29366555

COc1ccc(Cn2cnc3c(Cl)nc(I)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.54
HSP90AB1 P08238 4/20 0.54
ADORA2A P29274 1/20 0.51
CDK1 P06493 2/20 0.49
HPGD P15428 1/20 0.49
CTSL P07711 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
YTHDC1 Q96MU7 2/20 0.47
MET P08581 1/20 0.46
CNR2 P34972 2/20 0.46
NR3C1 P04150 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL5471657 1.00 HSP90AA1 (0.54) HSP90AA1HSP90AB1ADORA2ACDK1HPGD
SCHEMBL3821565 0.88 YTHDC1 (0.57) HSP90AA1HSP90AB1ADORA2AHPGDCTSL
SCHEMBL14441142 0.87 HSP90AB1 (0.54) HSP90AA1HSP90AB1ADORA2AHPGDCTSL
SCHEMBL29366455 0.86 HSP90AB1 (0.71) HSP90AA1HSP90AB1ADORA2AHDAC6HDAC4
SCHEMBL3389606 0.86 HSP90AB1 (0.71) HSP90AA1HSP90AB1ADORA2AHDAC6HDAC4
SCHEMBL5461518 0.86 HSP90AA1 (0.53) HSP90AA1HSP90AB1ADORA2AHPGDCTSL
SCHEMBL5462682 0.84 CTSL (0.59) HSP90AA1HSP90AB1CDK1CTSL
SCHEMBL5456480 0.83 PDE4A (0.54) HSP90AA1HSP90AB1ADORA2AHPGDCTSL
SCHEMBL12857135 0.82 YTHDC1 (0.57) HSP90AA1HSP90AB1CDK1YTHDC1HDAC6
SCHEMBL16774386 0.82 ADORA2A (0.49) HSP90AA1HSP90AB1ADORA2AHPGDCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113993870-B Imidazo pyrimidine compound containing fused ring group, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed
CN-113993870-A Imidazo pyrimidine compound containing polycyclic group, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-01-28 CN disclosed