SCHEMBL4014464

SCHEMBL4014464

N#CCc1cccc(N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
GRM5 P41594 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 2/20 0.44
MAPK1 P28482 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43

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
SCHEMBL3592846 0.84 TMEM97 (0.54) MEN1KMT2AGRM5SMN1; SMN2HTR1A
SCHEMBL18586080 0.82 GRM5 (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL27857403 0.81 HTR1A (0.50) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL7914920 0.81 PRMT6 (0.59) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4181983 0.80 AGXT (0.60) HTR2AHTR6
SCHEMBL10237108 0.79 PRMT6 (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14830657 0.79 ITGB3 (0.48) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5763718 0.78 DRD2 (0.60) MAPTTSHRLMNAUSP2MAPK1
SCHEMBL10237111 0.77 AGXT (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL5762489 0.77 DRD2 (0.62) MAPTALDH1A1HTR1AHTR7HTR2A

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-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 WO disclosed