SCHEMBL1703008

SCHEMBL1703008

CN1CCC(n2cc(N)cn2)CC1.CN1CCC(n2cc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
KDM5A P29375 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
EGFR P00533 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
F2 P00734 2/20 0.34
PLAU P00749 2/20 0.34
ELANE P08246 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FGFR1 P11362 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR3 P22607 2/20 0.34
MET P08581 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
SCHEMBL1558099 0.92 SIRT6 (0.40) ALOX15BMPR1AACVRL1ACVR1MAP3K7
SCHEMBL27033461 0.87 F2 (0.35) KDM5AGAAMAP3K7TAB1SIRT6
SCHEMBL15244435 0.87 MEN1 (0.39) ALOX15BMPR1AACVRL1ACVR1SIRT6
SCHEMBL216558 0.85 ALOX15 (0.50) ALOX15KDM5ABMPR1AACVRL1ACVR1
SCHEMBL9952208 0.84 ALDH1A1 (0.36) ALOX15MAP3K7TAB1SIRT6F2
SCHEMBL31361661 0.84 ALDH1A1 (0.36) ALOX15MAP3K7TAB1SIRT6F2
Hydrochloric Acid SCHEMBL15145595 0.83 ALOX15 (0.49) ALOX15KDM5ABMPR1AACVRL1ACVR1
SCHEMBL23612198 0.82 GSK3B (0.40) KDM5AMAP3K7TAB1ALDH1A1L3MBTL1
SCHEMBL23612062 0.81 GSK3B (0.34) KDM5AGAAMAP3K7TAB1F2
SCHEMBL174612 0.80 F2 (0.41) GAAF2PLAUELANEALDH1A1

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-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP disclosed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed