SCHEMBL29503149

SCHEMBL29503149

Cn1ncc2ccc(C(N)=O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.55
VNN1 O95497 1/20 0.50
KDM4E B2RXH2 1/20 0.50
BRD4 O60885 1/20 0.50
ALDH1A1 P00352 1/20 0.50
BRPF1 P55201 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGER3 P43115 1/20 0.48
PDE1C Q14123 1/20 0.47
FASN P49327 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK8 P49336 2/20 0.45
CCNC P24863 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
LCK P06239 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL19691125 1.00 AR (0.55) ARVNN1KDM4EBRD4ALDH1A1
SCHEMBL15875020 0.87 AR (0.66) ARVNN1KDM4EBRD4ALDH1A1
SCHEMBL30159522 0.87 AR (0.66) ARVNN1KDM4EBRD4ALDH1A1
SCHEMBL20239415 0.85 CDK8 (0.58) ARVNN1ALDH1A1PTGER3PDE1C
SCHEMBL29794165 0.85 TNKS (0.52) VNN1PTGER3PDE1CFASNCDK8
SCHEMBL1759304 0.85 TNKS (0.52) VNN1PTGER3PDE1CFASNCDK8
SCHEMBL29819532 0.85 CDK8 (0.58) ARVNN1ALDH1A1PTGER3PDE1C
SCHEMBL29069447 0.84 PTGER3 (0.55) VNN1PTGER3PDE1CFASNCDK8
SCHEMBL8296670 0.83 PLAU (0.45) ARVNN1PTGER3PDE1CFASN
SCHEMBL29426218 0.83 PTGER3 (0.51) ARKDM4EBRD4ALDH1A1BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4337662-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS Bridge Medicines (US) 2024-03-20 EP disclosed
WO-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 WO disclosed
CN-111601791-B EZH2 inhibitors, pharmaceutically acceptable salts and polymorphs thereof, and uses thereof 上海海雁医药科技有限公司 2022-10-04 CN disclosed