SCHEMBL5326569

SCHEMBL5326569

O=c1c2ccc(NCCO)cc2n(Cc2ccccc2)c(=O)n1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.53
MAPK9 P45984 2/20 0.53
PGR P06401 1/20 0.52
MAPT P10636 3/20 0.48
THRB P10828 1/20 0.48
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
RXFP1 Q9HBX9 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
RGS4 P49798 1/20 0.42
RGS8 P57771 1/20 0.42

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
SCHEMBL5332024 0.89 SMN1; SMN2 (0.43) MAPK8MAPK9PGRMAPTTHRB
SCHEMBL5331602 0.88 PGR (0.46) MAPK8MAPK9PGRMAPTTHRB
SCHEMBL5328634 0.87 MAPK8 (0.42) MAPK8MAPK9PGRMAPTTHRB
SCHEMBL5327489 0.85 SMN1; SMN2 (0.40) MAPK8MAPK9MAPTTHRBRXFP1
SCHEMBL5332658 0.83 SMN1; SMN2 (0.39) MAPK8MAPK9MAPTTHRBRXFP1
SCHEMBL5334125 0.83 KMT2A (0.43) PGRMAPTRXFP1TP53HPGD
SCHEMBL5333099 0.74 KDM4E (0.59) MAPTRXFP1TP53LMNAHPGD
SCHEMBL11203145 0.73 MAPK8 (0.61) MAPK8MAPK9PGRMAPTTHRB
SCHEMBL3306391 0.69 RXFP1 (0.43) MAPK8MAPK9PGRMAPTTHRB
SCHEMBL5333721 0.67 SMN1; SMN2 (0.47) MAPTRXFP1TP53HPGDSMN1; SMN2

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
WO-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO claimed
WO-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed