SCHEMBL6202094

SCHEMBL6202094

CCCN(CO)c1nc(Nc2ccc(Cl)cc2)c2[nH]nnc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
HTR2A P28223 3/20 0.47
TACR2 P21452 5/20 0.37
SRC P12931 3/20 0.37
MKNK1 Q9BUB5 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CNR1 P21554 1/20 0.33
CRHR1 P34998 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL6204147 0.89 CCNE2 (0.40) HTR2CHTR2ASRCMKNK1MAPT
SCHEMBL6203250 0.89 CCNE2 (0.38) HTR2CHTR2ASRCCRHR1
SCHEMBL6205647 0.88 CDK5 (0.41) HTR2CHTR2ASRCMEN1KMT2A
SCHEMBL6205216 0.86 BRAF (0.36) HTR2CHTR2ALMNAHTTMEN1
SCHEMBL6204176 0.86 BRAF (0.36) HTR2CHTR2ALMNAMEN1KMT2A
SCHEMBL6202086 0.84 HTR2C (0.48) HTR2CHTR2AMAPTLMNAPOLB
SCHEMBL6203207 0.84 KDM4E (0.36) HTR2CHTR2A
SCHEMBL6205187 0.80 HTR2C (0.42) HTR2CHTR2ATACR2SRCCRHR1
SCHEMBL6202760 0.77 CDK1 (0.40) LMNASMN1; SMN2
SCHEMBL6204719 0.74 PGK1 (0.33)

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
EP-1539760-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2005-06-15 EP disclosed
WO-2004018473-A2 AZAPURINE DERIVATIVES INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) 2004-03-04 WO disclosed