SCHEMBL7436017

SCHEMBL7436017

Cc1cnc2c(Br)cc(Cc3ccncc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
PDE4A P27815 3/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
RAB9A P51151 2/20 0.35
CYP17A1 P05093 2/20 0.34
NPC1 O15118 1/20 0.34
NR2F2 P24468 1/20 0.34
NOD2 Q9HC29 1/20 0.34
MAPT P10636 3/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL665059 0.78 PDE4A (0.53) CCR1CCR5CCR8PDE4APDE4B
SCHEMBL4734303 0.75 CCR1 (0.35) CCR1CCR5CCR8PDE4APDE4B
SCHEMBL12013398 0.71 PDE4A (0.41) CCR1CCR5CCR8PDE4APDE4B
SCHEMBL16274073 0.68 CYP17A1 (0.51) RAB9ACYP17A1MAPTCYP11B1CYP11B2
SCHEMBL19783279 0.68 CCR1 (0.36) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL2850764 0.68 PSMD14 (0.65) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL19540958 0.68 CYP11B1 (0.51) CYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL7445231 0.67 KDM4E (0.43) CCR1CCR5CCR8PDE4APDE4B
SCHEMBL19782773 0.67 NOS1 (0.38) CCR1CCR5CCR8KDM4ERAB9A
SCHEMBL7449180 0.67 L3MBTL1 (0.45) PDE4APDE4BPDE4CPDE4DKDM4E

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
CN-1202170-A Quinoline derivatives as type 1V phosphodiesterase inhibitors NOVARTIS AG (CH) 1998-12-16 CN disclosed
EP-0873338-A1 QUINOLINE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITORS Novartis AG (CH) 1998-10-28 EP disclosed
WO-1997018208-A1 QUINOLINE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITORS NOVARTIS AG (CH) 1997-05-22 WO disclosed