SCHEMBL4789576

SCHEMBL4789576

CN1CCN(c2cccc(-c3cnn4c([AsH2])c(-c5ccsc5)cnc34)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.58
LCK P06239 13/20 0.58
HCK P08631 11/20 0.58
SRC P12931 10/20 0.58
HRH4 Q9H3N8 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 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
SCHEMBL4175964 0.88 KDR (0.74) KDRLCKHCKSRCNPC1
SCHEMBL3587794 0.76 LCK (0.81) KDRLCKHCKSRCNPC1
SCHEMBL4179831 0.76 LCK (0.75) KDRLCKHCKSRCNPC1
SCHEMBL13503283 0.75 LCK (0.85) KDRLCKHCKSRCNPC1
SCHEMBL4170453 0.74 LCK (0.77) KDRLCKHCKSRCNPC1
SCHEMBL4168156 0.74 LCK (0.87) KDRLCKHCKSRC
SCHEMBL4177466 0.73 LCK (1.00) KDRLCKHCKSRC
SCHEMBL4164403 0.72 LCK (0.77) KDRLCKHCKSRCNPC1
SCHEMBL4170364 0.72 LCK (0.74) KDRLCKHCKSRCNPC1
SCHEMBL4171810 0.72 LCK (0.71) KDRLCKHCKSRCNPC1

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-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed