SCHEMBL9053527

SCHEMBL9053527

CCn1cc2cc3ncc(-c4ccc(OC)c(F)c4)nc3cc2n1.COc1ccc(-c2cnc3cc4cnn(Cc5ccccc5)c4cc3n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
ALDH1A1 P00352 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ERBB2 P04626 2/20 0.38
KIT P10721 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CACNA1H O95180 1/20 0.37
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
GRIN2B Q13224 7/20 0.36

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
SCHEMBL6615232 0.90 ALDH1A1 (0.46) BRD4ALDH1A1GLAGAASMN1; SMN2
SCHEMBL6621734 0.88 GRIN2B (0.45) BRD4ALDH1A1GLAGAASMN1; SMN2
SCHEMBL6616499 0.87 ALDH1A1 (0.46) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6617943 0.86 PDGFRB (0.47) ALDH1A1GLAGAASMN1; SMN2MAPT
Dimethylamine SCHEMBL6620658 0.83 PDGFRB (0.45) ALDH1A1GLAGAASMN1; SMN2MAPT
SCHEMBL6619419 0.82 PDGFRB (0.47) BRD4ALDH1A1GLAGAASMN1; SMN2
SCHEMBL6616291 0.82 GRIN2B (0.52) BRD4ALDH1A1GLAGAASMN1; SMN2
SCHEMBL9059921 0.81 GRIN2B (0.38) BRD4ALDH1A1GLAGAASMN1; SMN2
SCHEMBL9060048 0.80 GRIN2B (0.41) BRD4KITCACNA1HPDGFRBPDGFRA
Dimethylamine SCHEMBL6616891 0.80 PDGFRB (0.45) BRD4ALDH1A1GLAGAASMN1; SMN2

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
WO-1996007658-A1 PYRAZOLO[3,4-g]QUINOXALINE COMPOUNDS WHICH INHIBIT PDGF RECEPTOR PROTEIN TYROSINE KINASE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-03-14 WO disclosed