SCHEMBL19449447

SCHEMBL19449447

Cc1ncn2c(C)cc(-c3cncc(F)c3)nc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
PIM1 P11309 1/20 0.39
TLR7 Q9NYK1 14/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 1/20 0.33
ADRA2B P18089 1/20 0.33
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32

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
SCHEMBL19449288 0.81 ALDH1A1 (0.43) PIM1KDM4ENPC1ALDH1A1HPGD
SCHEMBL19449560 0.81 KDM5B (0.40) PIM1KDM4E
SCHEMBL19438258 0.73 JAK2 (0.40)
SCHEMBL19438259 0.73 JAK2 (0.40)
SCHEMBL21754221 0.69 CSNK2A1 (0.47) CYP11B1CYP11B2PIM1TLR7KDM4E
SCHEMBL19578966 0.68 KDM4E (0.46) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL19455790 0.68 KDM4E (0.55) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL19438383 0.68 APOBEC3A (0.41) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL19449573 0.68 TP53 (0.47) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL20839015 0.66 PIM1 (0.43) CYP11B1CYP11B2PIM1TLR7PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017176961-A1 IMIDAZO [1,5-A]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-10-12 WO disclosed