SCHEMBL20037583

SCHEMBL20037583

Cc1ccc(N2CCC(N(C)C)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.40
CDK6 Q00534 6/20 0.40
OGA O60502 1/20 0.40
MAP4K4 O95819 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KLF5 Q13887 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL16132009 0.90 MAP4K4 (0.50) MAP4K4
SCHEMBL12557337 0.83 CDK4 (0.39) CDK4CDK6MAP4K4L3MBTL3PARP1
SCHEMBL13768873 0.83 MAP4K4 (0.44) CDK4CDK6MAP4K4L3MBTL3PARP1
SCHEMBL1977570 0.83 LMNA (0.57) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20255243 0.83 OGA (0.40) CDK4CDK6OGAMAP4K4L3MBTL3
SCHEMBL20037694 0.83 MAP4K4 (0.44) MAP4K4
SCHEMBL20249263 0.81 CDK4 (0.39) CDK4CDK6MAP4K4L3MBTL3PARP1
SCHEMBL20255732 0.81 CDK4 (0.40) CDK4CDK6MAP4K4PARP1
SCHEMBL12653350 0.80 NPC1 (0.55) OGALMNAHTTNPC1RAB9A
SCHEMBL9413153 0.79 HTT (0.44) OGALMNAHTTNPC1RAB9A

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
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed