SCHEMBL20033221

SCHEMBL20033221

Cn1c2ccncc2c2cc(-c3cccc(-c4cccnc4)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ CYP11B2 P19099 4/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ FYN P06241 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ RET P07949 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ MET P08581 1/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ PIM1 P11309 1/20 0.45

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
SCHEMBL20033220 0.89 CYP11B2 (0.56) DRD2NR4A2CYP11B2CLK4CHEK1
SCHEMBL20128557 0.87 CYP11B2 (0.47) DRD2NR4A2CYP11B2CHEK1FGFR1
SCHEMBL2721311 0.87 DRD2 (0.49) DRD2NR4A2CYP11B2CLK4CHEK1
SCHEMBL16625725 0.87 ATM (0.48) DRD2NR4A2CYP11B2AXLMKNK1
SCHEMBL20033222 0.82 CYP11B2 (0.46) DRD2NR4A2CYP11B2CLK4CHEK1
SCHEMBL20033223 0.82 CYP11B2 (0.46) DRD2NR4A2CYP11B2CLK4CHEK1
SCHEMBL24492900 0.81 CYP19A1 (0.42) DRD2NR4A2CYP11B2CLK4CHEK1
SCHEMBL24493047 0.79 CYP19A1 (0.40) DRD2NR4A2CYP11B2CLK4CHEK1
SCHEMBL15317270 0.78 TOP2A (0.41) CYP11B2MEN1ALDH1A1CYP2D6KMT2A
SCHEMBL20128567 0.77 TDO2 (0.45) CYP11B2DYRK1ACYP11B1CYP3A4CYP17A1

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-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 — — US disclosed
Send feedback