SCHEMBL22201661

SCHEMBL22201661

Clc1nc(Nc2ccc3[nH]ccc3c2)c2ncccc2n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.47
EGFR P00533 6/20 0.47
FLT1 P17948 5/20 0.47
GRM4 Q14833 7/20 0.47
CYP1A2 P05177 1/20 0.47
KDR P35968 1/20 0.45
FGFR2 P21802 1/20 0.45
FLT3 P36888 1/20 0.45
TGFBR1 P36897 1/20 0.44
ULK1 O75385 2/20 0.43

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
SCHEMBL22201330 0.82 TGFBR1 (0.62) PRKD1EGFRFLT1KDRTGFBR1
SCHEMBL22201394 0.81 FGFR2 (0.54) PRKD1EGFRFLT1GRM4CYP1A2
SCHEMBL14891306 0.77 EGFR (0.48) EGFRGRM4
SCHEMBL22803760 0.77 GRM4 (0.50) PRKD1EGFRFLT1GRM4CYP1A2
SCHEMBL30302489 0.77 GRM4 (0.50) PRKD1EGFRFLT1GRM4CYP1A2
SCHEMBL20568776 0.77 GRM4 (0.51) PRKD1GRM4CYP1A2TGFBR1
SCHEMBL22803759 0.76 EGFR (0.52) PRKD1EGFRFLT1GRM4CYP1A2
SCHEMBL30302562 0.76 EGFR (0.52) PRKD1EGFRFLT1GRM4CYP1A2
SCHEMBL22803770 0.75 EGFR (0.58) PRKD1EGFRFLT1GRM4CYP1A2
SCHEMBL30302532 0.75 EGFR (0.58) PRKD1EGFRFLT1GRM4CYP1A2

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed