SCHEMBL7450702

SCHEMBL7450702

Clc1cccc(-c2cc(CBr)cc3cccnc23)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.60
PDE4C Q08493 13/20 0.60
PDE4D Q08499 13/20 0.60
PDE4B Q07343 12/20 0.60
DHFR P00374 1/20 0.43
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL7436994 0.86 PDE4A (0.63) PDE4APDE4CPDE4DPDE4BDHFR
SCHEMBL7448938 0.84 PDE4A (0.60) PDE4APDE4CPDE4DPDE4BDHFR
SCHEMBL7443505 0.83 PDE4A (0.59) PDE4APDE4CPDE4DPDE4BDHFR
SCHEMBL7437896 0.83 PDE4A (0.69) PDE4APDE4CPDE4DPDE4BDHFR
SCHEMBL7441348 0.82 PDE4A (0.55) PDE4APDE4CPDE4DPDE4BDHFR
SCHEMBL7443375 0.82 PDE4A (0.58) PDE4APDE4CPDE4DPDE4B
SCHEMBL7438491 0.81 PDE4A (0.57) PDE4APDE4CPDE4DPDE4B
SCHEMBL9023700 0.81 MAP4K4 (0.45) PDE4APDE4CPDE4DPDE4BDHFR
SCHEMBL7443607 0.80 PDE4A (0.53) PDE4APDE4CPDE4DPDE4B
SCHEMBL7444875 0.79 BRD4 (0.52) PDE4APDE4CPDE4DPDE4BDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed