SCHEMBL5331602

SCHEMBL5331602

CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccc(NCCO)cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAT2A P31153 1/20 0.39
THRB P10828 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL5332024 0.91 SMN1; SMN2 (0.43) PGRMAPTTP53SMN1; SMN2PKM
SCHEMBL5327489 0.89 SMN1; SMN2 (0.40) MAPTTP53SMN1; SMN2PKMKMT2A
SCHEMBL5326569 0.88 MAPK8 (0.53) PGRMAPTTP53SMN1; SMN2KMT2A
SCHEMBL5334125 0.87 KMT2A (0.43) PGRMAPTTP53SMN1; SMN2PKM
SCHEMBL5332658 0.87 SMN1; SMN2 (0.39) MAPTTP53SMN1; SMN2PKMKMT2A
SCHEMBL5328634 0.81 MAPK8 (0.42) PGRMAPTTP53SMN1; SMN2PKM
SCHEMBL5333099 0.75 KDM4E (0.59) MAPTTP53SMN1; SMN2PKMKMT2A
SCHEMBL3306391 0.72 RXFP1 (0.43) PGRMAPTTP53SMN1; SMN2MAPK8
SCHEMBL5333721 0.71 SMN1; SMN2 (0.47) MAPTTP53SMN1; SMN2PKMKMT2A
SCHEMBL22201349 0.68 MAPT (0.59) MAPTTP53SMN1; SMN2KMT2ARXFP1

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