SCHEMBL30289846

SCHEMBL30289846

COc1cc2nc(Nc3cc(C)cc(C)c3)[nH]c(=O)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ KDM4E B2RXH2 5/20 0.62
▸ MAPT P10636 5/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ESR1 P03372 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ GAA P10253 1/20 0.50
▸ PDE3B Q13370 3/20 0.49
▸ PDE3A Q14432 3/20 0.49
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45

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
SCHEMBL30289840 0.86 MEN1 (0.53) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL30289855 0.86 MEN1 (0.60) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL30289850 0.81 MAPT (0.65) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL27167386 0.80 MEN1 (0.61) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL30054584 0.80 MEN1 (0.61) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL30081006 0.79 KMT2A (0.60) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL6128121 0.78 KDM4E (0.62) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL24931695 0.73 MEN1 (0.53) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL30289847 0.73 MAPT (0.64) KMT2AMEN1KDM4EMAPTSMN1; SMN2
SCHEMBL32666079 0.72 KDM4E (0.67) KMT2AMEN1KDM4EMAPTSMN1; SMN2

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-2023054759-A1 2-AMINOQUINAZOLINE DERIVATIVE AND ANTI-VIRAL COMPOSITION COMPRISING SAME 한국화학연구원 2023-04-06 — — WO disclosed
Send feedback