SCHEMBL473669

SCHEMBL473669

Cc1ccc(S(=O)(=O)n2c3cnc(-c4cccnc4)cc3c3c(-c4ccc(C(=O)O)cc4)c(F)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GBA1 P04062 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
AGTR1 P30556 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
CYP2A6 P11509 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIM1 P11309 1/20 0.35
PDK2 Q15119 1/20 0.35
CCKAR P32238 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CKS1B P61024 1/20 0.34
SKP2 Q13309 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
LATS1 O95835 1/20 0.34

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
SCHEMBL11908027 0.91 SLC2A1 (0.41) CYP11B1CYP11B2PTGDR2CYP2A6CYP2C9
SCHEMBL1560920 0.89 CYP11B1 (0.38) CYP11B1CYP11B2GBA1CYP2A6CYP3A4
SCHEMBL2218828 0.85 PIM1 (0.41) CYP11B1CYP11B2GBA1PTGDR2CYP2A6
SCHEMBL1561368 0.84 POLB (0.36) CYP11B1CYP11B2GBA1PTGDR2CYP2A6
SCHEMBL473708 0.84 CYP2A6 (0.40) CYP11B1CYP11B2GBA1PTGDR2CYP2A6
SCHEMBL2220367 0.84 CYP2A6 (0.40) CYP11B1CYP11B2GBA1PTGDR2CYP2A6
SCHEMBL1560996 0.83 CTPS1 (0.40) CYP11B1CYP11B2CKS1BSKP2
SCHEMBL1560999 0.83 ABCB1 (0.37) CYP11B1CYP11B2PTGDR2CYP2A6PIM1
SCHEMBL2218482 0.82 CYP2A6 (0.38) CYP11B1CYP11B2GBA1PTGDR2CYP2A6
SCHEMBL1559921 0.80 ABCB1 (0.41) CYP11B1CYP11B2CKS1BSKP2

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-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed