SCHEMBL5315369

SCHEMBL5315369

O=C(O)Oc1nc2cccnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.37
ALDH1A1 P00352 4/20 0.35
CDK9 P50750 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
RIPK1 Q13546 4/20 0.35
HSP90AA1 P07900 1/20 0.35
LMNA P02545 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 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
SCHEMBL23122581 0.76 CCNB2 (0.43) ALDH1A1MAP2K1ALOX15HTTRIPK1
SCHEMBL9171113 0.75 KMT2A (0.51) ALDH1A1HTTLMNAKDM4EGAA
SCHEMBL523396 0.75 PIN1 (0.42) DAOALDH1A1CDK9DYRK1ADYRK1B
SCHEMBL4362602 0.73 KDM4C (0.50) ALDH1A1RIPK1KDM4ENPSR1TP53
Hydrochloric Acid SCHEMBL2816871 0.73 PIN1 (0.41) DAOALDH1A1CDK9DYRK1ADYRK1B
SCHEMBL3368051 0.71 MAP2K1 (0.48) ALDH1A1MAP2K1ALOX15HTTLMNA
SCHEMBL15566492 0.71 DAO (0.51) DAORIPK1
SCHEMBL4333657 0.70 RIPK1 (0.46) DAOALDH1A1RIPK1FGFR1FLT1
SCHEMBL1699249 0.70 ALDH1A1 (0.41) DAOALDH1A1CDK9DYRK1ADYRK1B
SCHEMBL29573599 0.70 ALDH1A1 (0.41) DAOALDH1A1CDK9DYRK1ADYRK1B

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-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO disclosed