SCHEMBL20203626

SCHEMBL20203626

CSc1ncc2cc(COC(=O)c3ccccc3)nc(-c3ccncc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NTRK1 P04629 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HASPIN Q8TF76 2/20 0.36
ALOX5 P09917 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 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
SCHEMBL23733423 0.94 TP53 (0.45) TP53TDP1ALDH1A1POLBNTRK1
SCHEMBL20203627 0.90 RXFP1 (0.43) TP53TDP1ALDH1A1POLBNTRK1
SCHEMBL20203536 0.89 POLB (0.38) TP53TDP1ALDH1A1POLBNTRK1
SCHEMBL20203533 0.86 TP53 (0.36) TP53TDP1ALDH1A1POLBNTRK1
SCHEMBL20203618 0.84 TDP1 (0.39) TP53TDP1ALDH1A1POLBNTRK1
SCHEMBL20037634 0.83 TDP1 (0.43) TP53TDP1ALDH1A1POLBL3MBTL1
SCHEMBL31164152 0.83 KMT2A (0.42) TP53TDP1ALDH1A1POLBMAPT
SCHEMBL18291265 0.83 KMT2A (0.42) TP53TDP1ALDH1A1POLBMAPT
SCHEMBL20203620 0.81 JAK2 (0.40) TP53TDP1ALDH1A1POLBL3MBTL1
SCHEMBL20203621 0.81 TDP1 (0.37) TP53TDP1ALDH1A1POLBMAPT

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-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 WO disclosed