SCHEMBL3229339

SCHEMBL3229339

Cc1nc(N2CCC(C(=O)O)CC2)c(C#N)cc1C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 2/20 0.58
MAPK1 P28482 1/20 0.58
RXFP1 Q9HBX9 1/20 0.55
P2RY12 Q9H244 11/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CHRM2 P08172 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL4881773 0.86 KDM4E (0.72) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL3225595 0.85 P2RY12 (0.52) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL3226385 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL4099899 0.84 KMT2A (0.57) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL3216575 0.84 P2RY12 (0.69) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL4872943 0.84 P2RY12 (0.57) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL4115190 0.84 P2RY12 (0.70) ALDH1A1KMT2AKDM4EMEN1P2RY12
SCHEMBL4874393 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL4103245 0.81 P2RY12 (0.59) ALDH1A1KMT2AKDM4EMEN1MAPK1
SCHEMBL4737008 0.80 P2RY12 (0.58) ALDH1A1KMT2AKDM4EMEN1MAPK1

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
WO-2010005385-A1 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 ASTRAZENECA AB (SE) 2010-01-14 WO disclosed