SCHEMBL7650430

SCHEMBL7650430

COc1ccc2c(Cc3ncc(Cl)cc3Cl)nncc2c1C=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.51
PDE4B Q07343 11/20 0.51
PDE4C Q08493 11/20 0.51
PDE4D Q08499 11/20 0.51
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
SRC P12931 1/20 0.35
CCNT1 O60563 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
TUBB1 Q9H4B7 2/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 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
SCHEMBL6586630 0.83 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586625 0.83 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6592230 0.68 PDE4D (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6592235 0.68 PDE4D (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586372 0.67 PDE4A (0.75) PDE4APDE4BPDE4CPDE4D
SCHEMBL6592499 0.63 PDE4D (0.77) PDE4APDE4BPDE4CPDE4D
SCHEMBL2604931 0.61 CYP1A2 (0.61) CYP1A1CYP1A2CYP1B1TUBB1TUBB4A
SCHEMBL6585375 0.61 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL5497383 0.60 NFE2L2 (0.66) PDGFRBPDGFRACYP1A1CYP1A2CYP1B1
SCHEMBL5497385 0.60 NFE2L2 (0.66) PDGFRBPDGFRACYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492360-B1 Phthalazine derivatives phosphodiesterase 4 inhibitors ZAMBON GROUP S.P.A. (IT) 2002-12-10 US disclosed