SCHEMBL369410

SCHEMBL369410

c1nc2c(ccc3[nH]ncc32)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
MKNK1 Q9BUB5 2/20 0.38
NOS1 P29475 7/20 0.38
AXL P30530 2/20 0.38
MELK Q14680 1/20 0.36
IDO1 P14902 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
METAP2 P50579 2/20 0.35
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ROCK2 O75116 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL12321248 0.71 NOS1 (0.56) CCNA2CDK2CCNA1NOS1AXL
SCHEMBL5160632 0.71 ALDH1A1 (0.46) MELKEGLN1ALDH1A1KDM4ERAB9A
SCHEMBL10967425 0.69 PDE3B (0.44) EGLN1CSNK2A1
SCHEMBL15168259 0.69 QPCT (0.43) CCNA2CDK2CCNA1NOS1AXL
SCHEMBL8983079 0.68 LMNA (0.47) CCNA2CDK2CCNA1MKNK1NOS1
SCHEMBL9440567 0.67 KDM4E (0.36) ALDH1A1JAK2KDM4EGAAMAPT
SCHEMBL8627138 0.67 LMNA (0.39) MELKEGLN1ALDH1A1KDM4EMEN1
SCHEMBL26462921 0.66 CDK2 (0.35) CCNA2CDK2CCNA1NOS1AXL
SCHEMBL29772171 0.66 EGLN1 (0.34) EGLN1ALDH1A1
SCHEMBL359265 0.64 GRM4 (0.43) CDK2METAP2ALDH1A1KDM4EMEN1

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
WO-2012007510-A1 COMPOUNDS FOR BINDING AND IMAGING AMYLOID PLAQUES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed