SCHEMBL21251985

SCHEMBL21251985

CCc1c(OC)cccc1-c1cc2cnc(N)nc2c(NCCN2CCN(C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CLK4 Q9HAZ1 2/20 0.39
TLR9 Q9NR96 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL21251983 0.90 PGK1 (0.43) PGK1CYP1A2CYP3A4CYP2D6HIF1A
SCHEMBL20331085 0.80 PGK1 (0.45) PGK1TLR9JAK2JAK1TYK2
SCHEMBL20330753 0.80 PGK1 (0.46) PGK1TLR9KDRFGFR1
SCHEMBL21252510 0.78 FGFR1 (0.49) PGK1CYP1A2CYP3A4CYP2D6HIF1A
SCHEMBL21240565 0.77 PGK1 (0.44) PGK1CYP1A2CYP3A4CYP2D6HIF1A
SCHEMBL30046372 0.77 PGK1 (0.44) PGK1CYP1A2CYP3A4CYP2D6HIF1A
SCHEMBL21251913 0.77 PGK1 (0.42) PGK1TLR9KDRTLR7FGFR1
SCHEMBL21251936 0.72 PGK1 (0.46) PGK1TLR9KDRJAK3FGFR1
SCHEMBL20331055 0.72 FGFR1 (0.44) PGK1CYP1A2CYP3A4CYP2D6HIF1A
SCHEMBL20330743 0.71 SUV39H2 (0.44) CYP1A2CYP3A4CYP2D6HIF1AMEN1

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
EP-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 EP disclosed