SCHEMBL28610329

SCHEMBL28610329

Nc1ncc(Br)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.57
SYK P43405 2/20 0.55
MAPT P10636 5/20 0.52
MAPK1 P28482 3/20 0.52
AHR P35869 1/20 0.52
HTT P42858 1/20 0.52
TTBK1 Q5TCY1 1/20 0.51
TTBK2 Q6IQ55 1/20 0.51
ZAP70 P43403 1/20 0.49
PLK4 O00444 1/20 0.48
TSHR P16473 1/20 0.48
NR4A1 P22736 1/20 0.48
TP53 P04637 1/20 0.48
JAK2 O60674 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL29390857 1.00 IGF1R (0.57) IGF1RSYKMAPTMAPK1AHR
SCHEMBL29173352 0.81 SYK (0.53) IGF1RSYKZAP70JAK2AURKA
SCHEMBL30205943 0.81 SYK (0.53) IGF1RSYKZAP70JAK2AURKA
SCHEMBL11346255 0.78 IGF1R (0.69) IGF1RSYKMAPTMAPK1PLK4
SCHEMBL30206112 0.77 IGF1R (0.49) IGF1RSYKMAPTMAPK1AHR
SCHEMBL29173588 0.77 IGF1R (0.49) IGF1RSYKMAPTMAPK1AHR
SCHEMBL18830272 0.75 MAPT (0.58) IGF1RSYKMAPTMAPK1TTBK1
SCHEMBL20005722 0.74 AURKA (0.65) IGF1RSYKJAK2AURKACD63
SCHEMBL20957578 0.74 BTK (0.51) IGF1RSYKMAPTMAPK1AHR
SCHEMBL173564 0.73 IGF1R (0.48) IGF1RSYKMAPTMAPK1AHR

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
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 代表亚利桑那大学的亚利桑那校董会 2021-07-23 CN disclosed