SCHEMBL6232602

SCHEMBL6232602

Nc1ccc2nc(Nc3cccc(F)c3)c(-c3cccs3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.55
EGFR P00533 2/20 0.48
AURKB Q96GD4 1/20 0.45
RAB9A P51151 3/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RPS6KB2 Q9UBS0 2/20 0.41
CSNK2A1 P68400 2/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
ABCB1 P08183 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6237490 0.89 ABCG2 (0.67) ABCG2EGFRAURKBRAB9AMAPT
SCHEMBL7691382 0.87 ABCG2 (0.61) ABCG2EGFRAURKBRAB9AMAPT
SCHEMBL6239581 0.83 ABCG2 (0.54) ABCG2EGFRAURKBMAPTSMN1; SMN2
SCHEMBL6237894 0.78 RPS6KB2 (0.64) RAB9AMAPTSMN1; SMN2RPS6KB2KDM4E
SCHEMBL6235369 0.75 MEN1 (0.58) ABCG2EGFRMAPTRPS6KB2CSNK2A1
SCHEMBL6236522 0.75 ABCG2 (0.48) ABCG2EGFRMAPTRPS6KB2CSNK2A1
SCHEMBL6259663 0.75 PDE5A (0.61) ABCG2RAB9AMAPTSMN1; SMN2RPS6KB2
SCHEMBL6239609 0.74 MAPT (0.51) ABCG2EGFRMAPTCSNK2A1TP53
SCHEMBL7697772 0.74 RPS6KB2 (0.58) ABCG2MAPTSMN1; SMN2RXFP1RPS6KB2
SCHEMBL11932222 0.73 CSNK2A1 (0.71) EGFRCSNK2A1CSNK2B

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-2005007099-A2 PKB INHIBITORS AS ANTI-TUMOR AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-27 WO disclosed