SCHEMBL4440201

SCHEMBL4440201

COC(=O)c1ccccc1-n1cnnn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.56
MYC P01106 1/20 0.53
KMT2A Q03164 2/20 0.49
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
DGAT2 Q96PD7 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL18367783 0.87 TP53 (0.56) NPC1TP53MYCKMT2AALDH1A1
SCHEMBL13995836 0.83 NPC1 (0.68) NPC1KMT2AJAK2JAK1ALDH1A1
SCHEMBL24040867 0.81 NPC1 (0.63) NPC1TP53KMT2AJAK2JAK1
SCHEMBL4925703 0.81 NPC1 (0.58) NPC1MYCKMT2AJAK2JAK1
SCHEMBL30444401 0.80 NPC1 (0.57) NPC1KMT2AJAK2JAK1ALDH1A1
SCHEMBL3328193 0.80 NPC1 (0.57) NPC1KMT2AJAK2JAK1ALDH1A1
SCHEMBL7468796 0.79 MYC (0.53) MYCKMT2AALDH1A1KDM4EHPGD
SCHEMBL22717843 0.78 TP53 (0.52) NPC1TP53ALDH1A1KDM4EHPGD
SCHEMBL11400762 0.78 MYC (0.58) MYCKMT2AALDH1A1KDM4EMAPT
Dimethyl Phthalate SCHEMBL29215693 0.77 ALDH1A1 (0.49) NPC1TP53MYCKMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed