SCHEMBL3798467

SCHEMBL3798467

Cc1ncc(-n2ccnn2)c(C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 5/20 0.36
NOTUM Q6P988 5/20 0.35
EGLN2 Q96KS0 3/20 0.34
TET2 Q6N021 1/20 0.33
OGFOD1 Q8N543 1/20 0.33
TET1 Q8NFU7 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL3687324 0.78 HCRTR1 (0.55) HCRTR1HCRTR2NOTUMEGLN2
SCHEMBL18039131 0.72 HCRTR1 (0.44) HCRTR1HCRTR2NOTUMMAPK9MAPK10
SCHEMBL15006470 0.69 DPP4 (0.39) SYK
SCHEMBL4561902 0.69 NOTUM (0.37) HCRTR1HCRTR2NOTUMMAPK9MAPK10
SCHEMBL16039381 0.68 HCRTR2 (0.43) HCRTR1HCRTR2NOTUMEGLN2
SCHEMBL3802779 0.67
SCHEMBL302595 0.67 NOTUM (0.46) HCRTR1HCRTR2NOTUMEGLN2MAPK9
SCHEMBL17910087 0.67 HCRTR1 (0.43) HCRTR1HCRTR2NOTUMMAPK9MAPK10
SCHEMBL979253 0.66 MAPK9 (0.38) NOTUMMAPK9MAPK10
SCHEMBL7848026 0.66 HCRTR1 (0.48) HCRTR1HCRTR2NOTUMMAPK9MAPK10

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-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed