SCHEMBL4189966

SCHEMBL4189966

CCCCCN1C(=O)Cc2cnc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP1 O94782 12/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MGLL Q99685 3/20 0.37
FAAH O00519 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PDE5A O76074 1/20 0.35

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
SCHEMBL18168138 0.76 SMN1; SMN2 (0.44) USP1SMN1; SMN2MAPT
SCHEMBL1845750 0.74 LMNA (0.41) USP1SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL18211896 0.74 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL4187292 0.72 MARK3 (0.44) PTGS1PTGS2MGLLFAAHSMN1; SMN2
SCHEMBL21904257 0.72 USP1 (0.37) USP1
SCHEMBL4190137 0.71 PTGS1 (0.36) PTGS1PTGS2MGLLFAAH
SCHEMBL20740487 0.69 PTGS1 (0.34) PTGS1PTGS2MGLLFAAH
SCHEMBL1845316 0.68 POLB (0.39) USP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4639742 0.68 MGLL (0.55) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15301093 0.67 MGLL (0.50) PTGS1PTGS2MGLLFAAHALDH1A1

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-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed