SCHEMBL24699006

SCHEMBL24699006

c1c[nH]c(-c2nc(N3CCC3)nc3c2CCC3)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
IGF1R P08069 9/20 0.39
HTR2C P28335 2/20 0.37
HPGD P15428 1/20 0.36
GBA1 P04062 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
INSR P06213 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2B P41595 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
SCHEMBL24698948 0.89 NISCH (0.38) KDM4EALDH1A1IGF1RHTR2CGBA1
SCHEMBL24699001 0.80 MTOR (0.36) IGF1RINSR
SCHEMBL24698495 0.74 TP53 (0.44) KDM4EALDH1A1HPGDGBA1SMN1; SMN2
SCHEMBL24698856 0.73 PIK3CA (0.47) KDM4EALDH1A1IGF1RHTR2CHPGD
SCHEMBL24698050 0.73 IGF1R (0.41) KDM4EALDH1A1IGF1RHTR2CHPGD
SCHEMBL24698701 0.73 TDP1 (0.41) KDM4EALDH1A1GBA1SMN1; SMN2HSD17B10
SCHEMBL24699070 0.73 ALDH1A1 (0.39) KDM4EALDH1A1IGF1RHTR2CHPGD
SCHEMBL24699490 0.72 KDM4E (0.38) KDM4EALDH1A1IGF1RHTR2CHPGD
SCHEMBL24698171 0.71 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGBA1SMN1; SMN2
SCHEMBL24698057 0.70 PIK3CA (0.44) KDM4EALDH1A1IGF1RHTR2CHPGD

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