SCHEMBL5305299

SCHEMBL5305299

Nc1ccc2c(c1)SC(N)N2CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
MAOB P27338 6/20 0.39
MAOA P21397 4/20 0.39
SIGMAR1 Q99720 2/20 0.38
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL5212917 0.86 TAAR1 (0.43) KMT2AMEN1MAOBFYNCYP19A1
SCHEMBL5256493 0.86 EHMT2 (0.38) NOX1KMT2AL3MBTL1MEN1ADRA2A
SCHEMBL27906420 0.85 PARK7 (0.45) KMT2AMEN1
SCHEMBL27924324 0.85 ALDH1A1 (0.44) SLC6A2SLC6A4SIGMAR1
SCHEMBL9358633 0.84 HRH3 (0.39) SLC6A4SIGMAR1GSK3AGSK3BHRH3
SCHEMBL27924321 0.82 PARK7 (0.47) SLC6A4SIGMAR1
SCHEMBL5215900 0.81 HRH1 (0.41) NOX1KMT2AL3MBTL1MEN1ADRA2A
SCHEMBL27906314 0.81 KMT2A (0.35) KMT2AL3MBTL1MEN1HRH3TAAR1
SCHEMBL5216610 0.73 MAPT (0.41) L3MBTL1SIGMAR1SMN1; SMN2
SCHEMBL27906310 0.69 ALDH1A1 (0.37) KMT2AMEN1SLC6A2SLC6A4HRH3

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-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed