SCHEMBL297463

SCHEMBL297463

O=C(O)c1cc2cccnc2n1-c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
PDE4D Q08499 2/20 0.48
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL296528 0.86 ALDH1A1 (0.47) PDE4BALDH1A1TSHRPDE4DTRPV1
SCHEMBL23672389 0.81 PDE4B (0.55) PDE4BPDE4D
SCHEMBL2537807 0.80 PDE4B (0.44) PDE4BALDH1A1TSHRPDE4DMEN1
SCHEMBL34467742 0.80 PDE4B (0.43) PDE4BALDH1A1TSHRPDE4DTRPV1
SCHEMBL298304 0.79 ALDH1A1 (0.45) PDE4BALDH1A1TSHRPDE4DMEN1
SCHEMBL30636798 0.77 PDE4B (0.41) PDE4BPDE4D
SCHEMBL4411023 0.77 ALDH1A1 (0.49) ALDH1A1TSHRMEN1POLBPABPC1
SCHEMBL298062 0.76 CCR2 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL3758947 0.75 MCL1 (0.56) PDE4BALDH1A1MEN1POLBKMT2A
SCHEMBL30226404 0.75 PARP1 (0.45) PDE4BALDH1A1TSHRPDE4DMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106401-B1 DERIVATIVES OF PYRROLOPYRIDINE-2-CARBOXAMIDS, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-03-14 EP disclosed