SCHEMBL4552901

SCHEMBL4552901

Nc1ccnn1CCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 6/20 0.44
PKM P14618 1/20 0.44
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
TSHR P16473 2/20 0.39
CDK9 P50750 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5362573 0.86 KDM4E (0.51) KDM4EALDH1A1PKMADORA2AADORA1
SCHEMBL6755827 0.75 KDM4E (0.57) KDM4EALDH1A1PKMTDP1ALOX15
SCHEMBL11063011 0.75 KDM4E (0.44) KDM4EALDH1A1PKMADORA2AADORA1
SCHEMBL1491105 0.74 ALDH1A1 (0.51) KDM4EALDH1A1PKMADORA2AADORA1
SCHEMBL20329602 0.69
SCHEMBL5498503 0.69
SCHEMBL2340816 0.69
SCHEMBL8146532 0.69 ALDH1A1 (0.54) KDM4EALDH1A1TSHRTDP1CYP3A4
SCHEMBL1491103 0.68 ALDH1A1 (0.49) KDM4EALDH1A1PKMADORA2AADORA1
SCHEMBL3555850 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611014-B Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB 2012-05-30 CN disclosed
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