SCHEMBL5144572

SCHEMBL5144572

Cc1nc(N)cc(N2CCCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
KMT2A Q03164 2/20 0.54
HRH3 Q9Y5N1 1/20 0.51
NUDT1 P36639 2/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3286587 0.85 HRH4 (0.72) HRH4HRH3
SCHEMBL794010 0.84 CRHBP (0.61) HRH4SMN1; SMN2CRHBPCRHR2KMT2A
SCHEMBL30068075 0.81 HRH4 (0.49) HRH4SMN1; SMN2CRHBPCRHR2KMT2A
SCHEMBL26647349 0.81 HRH4 (0.49) HRH4SMN1; SMN2CRHBPCRHR2KMT2A
SCHEMBL28957811 0.81 HRH4 (0.58) HRH4SMN1; SMN2CRHBPCRHR2KMT2A
SCHEMBL10678810 0.80 HRH4 (0.70) HRH4SMN1; SMN2CRHBPCRHR2HRH3
SCHEMBL30296862 0.80 HRH4 (0.70) HRH4SMN1; SMN2CRHBPCRHR2HRH3
SCHEMBL5790244 0.80 SMN1; SMN2 (0.65) HRH4SMN1; SMN2CRHBPCRHR2KMT2A
SCHEMBL31503138 0.78 HRH4 (0.68) HRH4SMN1; SMN2CRHBPCRHR2KMT2A
SCHEMBL5791348 0.78 SMN1; SMN2 (0.68) SMN1; SMN2CRHBPCRHR2KMT2ANUDT1

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-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed