SCHEMBL6202990

SCHEMBL6202990

CCCOc1cccc2c1Cc1c-2n[nH]c1NCc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK1 Q9BQI3 5/20 0.41
PDE5A O76074 2/20 0.35
ALDH1A1 P00352 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 1/20 0.34
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL6202704 0.74 PDGFRB (0.41) ALDH1A1PKMMAPTPDGFRBL3MBTL1
SCHEMBL4042770 0.73 KDM4E (0.50) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL4040923 0.73 EIF2AK1 (0.48) EIF2AK1ALDH1A1MAPTABL1SRC
SCHEMBL4044820 0.71 EIF2AK1 (0.58) EIF2AK1ALDH1A1KDM4EMAPTPDGFRB
SCHEMBL4046585 0.69 PDGFRB (0.43) ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL4052068 0.68 EIF2AK1 (0.58) EIF2AK1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4040728 0.67 CHEK1 (0.42) EIF2AK1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4040762 0.66 EIF2AK1 (0.56) EIF2AK1ALDH1A1TSHRKDM4EPDGFRB
SCHEMBL4047538 0.65 CACNA1B (0.39) PDGFRB
SCHEMBL4051009 0.65 ACHE (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6TSHR

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
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed