SCHEMBL6017103

SCHEMBL6017103

COc1nc2nc(N)ncc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
FGFR1 P11362 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
KMT2A Q03164 1/20 0.35
NUDT1 P36639 2/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL8447336 0.76 ALDH1A1 (0.50) ALDH1A1FGFR1RXFP1KMT2ANUDT1
SCHEMBL31561546 0.75 ALDH1A1 (0.53) ALDH1A1RXFP1KMT2ANUDT1
SCHEMBL237122 0.75 ALDH1A1 (0.53) ALDH1A1RXFP1KMT2ANUDT1
SCHEMBL10868835 0.73 ALDH1A1 (0.38) ALDH1A1RXFP1
SCHEMBL852582 0.73 MGMT (0.46) DHFR
SCHEMBL1398868 0.73 METAP2 (0.44)
SCHEMBL29393481 0.72 MGMT (0.38) ALDH1A1DHFR
SCHEMBL27485127 0.72 ALDH1A1 (0.38) ALDH1A1KMT2ADHFR
SCHEMBL3963577 0.72 ALDH1A1 (0.50) ALDH1A1FGFR1RXFP1DHFR
SCHEMBL2934833 0.72 ALDH1A1 (0.50) ALDH1A1FGFR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670914-A1 A PROCESS FOR SEQUENCE SATURATION MUTAGENESIS (SESAM) BASF AKTIENGESELLSCHAFT (DE) 2006-06-21 EP claimed
WO-2005035757-A1 A PROCESS FOR SEQUENCE SATURATION MUTAGENESIS (SESAM) BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 WO claimed
EP-1670914-A1 A PROCESS FOR SEQUENCE SATURATION MUTAGENESIS (SESAM) BASF AKTIENGESELLSCHAFT (DE) 2006-06-21 EP disclosed
WO-2005035757-A1 A PROCESS FOR SEQUENCE SATURATION MUTAGENESIS (SESAM) BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed