SCHEMBL20203536

SCHEMBL20203536

CSc1ncc2cc(COC(=O)c3ccccc3)nc(-c3ccsc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 3/20 0.37
CHRNA7 P36544 1/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NTRK1 P04629 1/20 0.35
ALOX5 P09917 1/20 0.35
CHEK2 O96017 1/20 0.35
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 2/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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 0.90 TP53 (0.45) POLBALDH1A1TDP1MAPTRAB9A
SCHEMBL20203626 0.89 TP53 (0.40) POLBALDH1A1TDP1MAPTRAB9A
SCHEMBL23733440 0.87 MAPK1 (0.39) POLBALDH1A1TDP1MAPTRAB9A
SCHEMBL20203627 0.87 RXFP1 (0.43) POLBALDH1A1TDP1MAPTRAB9A
SCHEMBL20203533 0.84 TP53 (0.36) POLBALDH1A1TDP1MAPTRAB9A
SCHEMBL20203618 0.83 TDP1 (0.39) POLBALDH1A1TDP1MAPTRAB9A
SCHEMBL20037634 0.82 TDP1 (0.43) POLBALDH1A1TDP1MAPTRAB9A
SCHEMBL18291265 0.82 KMT2A (0.42) POLBALDH1A1TDP1MAPTTP53
SCHEMBL31164152 0.82 KMT2A (0.42) POLBALDH1A1TDP1MAPTTP53
SCHEMBL20203620 0.81 JAK2 (0.40) POLBALDH1A1TDP1MAPTRAB9A

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