SCHEMBL24698648

SCHEMBL24698648

C[C@H]1CCN1c1nc2c(c(-c3cccc(Sc4ccc(C#N)cc4)c3)n1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
EGLN2 Q96KS0 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.32
MTOR P42345 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
FASN P49327 2/20 0.31
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSD11B1 P28845 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL30015886 1.00 HRH3 (0.36) HRH3EGLN2HTR2AHTR2CHTR2B
SCHEMBL29134822 0.86 MTOR (0.41) HRH3RECQLMTORSMN1; SMN2POLB
SCHEMBL30014710 0.86 MTOR (0.41) HRH3RECQLMTORSMN1; SMN2POLB
SCHEMBL24698381 0.86 MTOR (0.41) HRH3RECQLMTORSMN1; SMN2POLB
SCHEMBL24698482 0.83 HRH3 (0.35) HRH3PDK1PDK2PDK3PDK4
SCHEMBL24699080 0.82 TDP1 (0.39) HRH3EGLN2HTR2AHTR2CHTR2B
SCHEMBL30015974 0.82 TDP1 (0.39) HRH3EGLN2HTR2AHTR2CHTR2B
SCHEMBL24697557 0.77 HRH3 (0.39) HRH3PDK1PDK2PDK3PDK4
SCHEMBL24699438 0.77 HRH3 (0.49) HRH3MTORPDK1PDK2PDK3
SCHEMBL30015449 0.77 HRH3 (0.39) HRH3PDK1PDK2PDK3PDK4

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-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed