SCHEMBL19264342

SCHEMBL19264342

Cc1nn(Cc2cncnc2)c2ncc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
SPR P35270 1/20 0.38
GRIN1 Q05586 8/20 0.37
GRIN2B Q13224 8/20 0.37
PDE5A O76074 6/20 0.37
SLC2A1 P11166 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP17A1 P05093 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14488354 0.83 GRIN1 (0.37) GRIN1GRIN2BPDE5A
SCHEMBL19264147 0.81 SPR (0.38) L3MBTL1SPRGRIN1GRIN2BPDE5A
SCHEMBL14488524 0.80 PDE5A (0.36) GRIN1GRIN2BPDE5A
SCHEMBL19264334 0.79 PDE5A (0.54) L3MBTL1PDE5ACYP1A2USP2CYP3A4
SCHEMBL19264146 0.79 L3MBTL1 (0.46) L3MBTL1SPRGRIN1GRIN2BPDE5A
SCHEMBL15937438 0.78 GRIN1 (0.34) GRIN1GRIN2BPDE5A
SCHEMBL19264469 0.78 GRIN1 (0.36) GRIN1GRIN2BPDE5A
SCHEMBL19264504 0.78 PDE5A (0.35) GRIN1GRIN2BPDE5A
SCHEMBL25975747 0.77 KMT2A (0.46) L3MBTL1SPRPDE5A
SCHEMBL19264503 0.76 PTGDR2 (0.41) L3MBTL1SPRGRIN1GRIN2BPDE5A

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-2729476-B1 HETEROARYL SUBSTITUTED PYRAZOLOPYRIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2017-08-23 EP disclosed