SCHEMBL7843650

SCHEMBL7843650

Cc1ncccc1-c1cc(C(N)=O)c2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 1/20 0.46
BAZ2B Q9UIF8 4/20 0.42
BAZ2A Q9UIF9 4/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
MAP4K2 Q12851 1/20 0.41
IDO1 P14902 8/20 0.38
DHODH Q02127 1/20 0.37
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
MAP2K3 P46734 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL7587040 0.74 MKNK1 (0.58) MKNK1MKNK2MAP2K3KMT2A
SCHEMBL7590161 0.74 ALDH1A1 (0.38) BAZ2BBAZ2ABRD4BRD2BRD3
SCHEMBL7954859 0.70 MKNK1 (0.43) MKNK1MKNK2DHODHP2RX7KDM4E
SCHEMBL15730172 0.68 MKNK2 (0.64) MKNK1MKNK2MAP4K2DHODHP2RX7
SCHEMBL29882866 0.68 FNTA (0.48) BAZ2BBAZ2ABRD4BRD2BRD3
SCHEMBL28905992 0.68 P2RX7 (0.65) MKNK1MKNK2P2RX7KDM4EALDH1A1
SCHEMBL129457 0.68 P2RX7 (0.65) MKNK1MKNK2P2RX7KDM4EALDH1A1
SCHEMBL945362 0.67 MKNK1 (0.63) MKNK1MKNK2DHODHP2RX7
SCHEMBL15730517 0.67 MKNK1 (0.62) MKNK1MKNK2DHODHP2RX7ALDH1A1
SCHEMBL11247100 0.67 MKNK2 (0.48) MKNK1MKNK2MAP4K2DHODHP2RX7

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-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP disclosed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 WO disclosed