SCHEMBL7872849

SCHEMBL7872849

COC(=O)C(N)n1cnc2c(Cl)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 8/20 0.42
FGFR4 P22455 8/20 0.42
FDPS P14324 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
P2RX7 Q99572 2/20 0.40
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
AHCY P23526 2/20 0.38

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
SCHEMBL5281840 0.83 FDPS (0.45) FGFR1FGFR4FDPSHDAC6P2RX7
SCHEMBL21539218 0.76 ADORA2A (0.51) FGFR1FGFR4FDPSP2RX7ADORA2A
SCHEMBL21127815 0.76 ADORA2A (0.46) FGFR1FGFR4FDPSHDAC6P2RX7
SCHEMBL9536725 0.74 FGFR1 (0.45) FGFR1FGFR4FDPSHDAC6P2RX7
SCHEMBL11596964 0.74 ADORA2A (0.45) FGFR1FGFR4FDPSP2RX7ADORA2A
SCHEMBL11258096 0.73 ADORA2A (0.47) FGFR1FGFR4FDPSP2RX7ADORA2A
SCHEMBL2475932 0.73 ADORA2A (0.64) FGFR1FGFR4FDPSADORA2AADORA2B
SCHEMBL31331738 0.73 ADORA2A (0.64) FGFR1FGFR4FDPSADORA2AADORA2B
SCHEMBL11596392 0.71 ADORA2A (0.49) FGFR1FGFR4FDPSHDAC6P2RX7
SCHEMBL7867778 0.71 CCNB2 (0.38) FGFR1FGFR4HDAC6ADORA2AADORA1

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
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed