SCHEMBL26070907

SCHEMBL26070907

Nc1[nH]nnc1-c1cccc(OCCC2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.47
MCHR1 Q99705 1/20 0.41
IGF1R P08069 5/20 0.41
ADORA2A P29274 1/20 0.39
TGFBR1 P36897 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.38
YES1 P07947 1/20 0.38
PDGFRB P09619 1/20 0.38
EPHB4 P54760 1/20 0.38
C5AR1 P21730 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18006326 0.84 NFE2L2 (0.40) NFE2L2MCHR1IGF1RADORA2ATGFBR1
SCHEMBL26070993 0.77 IGF1R (0.44) IGF1R
SCHEMBL26071006 0.77 CYP2D6 (0.42) IGF1R
SCHEMBL26071070 0.77 SMN1; SMN2 (0.45) KDM4E
SCHEMBL26070953 0.76 IGF1R (0.47) IGF1R
SCHEMBL26070997 0.75 KDM4E (0.40) IGF1REPHB4KDM4E
SCHEMBL26070995 0.74 KDM4E (0.42) IGF1RKDM4E
SCHEMBL18003498 0.74 IGF1R (0.46) IGF1RADORA2A
SCHEMBL26070898 0.73 BTK (0.49) KDM4E
SCHEMBL26070951 0.73 SIRT2 (0.42) IGF1RKDM4E

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed