SCHEMBL30677461

SCHEMBL30677461

c1cc2[nH]c(N3CCOCC3)ncc-2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3R1 P27986 1/20 0.40
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CSF1R P07333 1/20 0.38
CBFB Q13951 1/20 0.38
LRRK2 Q5S007 2/20 0.38
MAPT P10636 1/20 0.38
MAPK10 P53779 1/20 0.37
AR P10275 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MTOR P42345 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
SCHEMBL30677309 0.76 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBTP53KMT2A
SCHEMBL497431 0.72 DCTPP1 (0.48) PIK3CAPIK3CDPIK3CBTP53KMT2A
SCHEMBL4035898 0.71 TSHR (0.42) PIK3CAPIK3CDPIK3CBTP53KMT2A
SCHEMBL14334321 0.68 KMT2A (0.42) PIK3CAPIK3CDPIK3CBTP53KMT2A
SCHEMBL21325364 0.68 CNR1 (0.43) PIK3CATP53KMT2AMEN1TSHR
SCHEMBL15893927 0.68 CYP2C19 (0.43) PIK3CAPIK3CBTP53KMT2AMEN1
SCHEMBL30766045 0.67 KMT2A (0.51) PIK3CATP53KMT2AMEN1TSHR
SCHEMBL15733180 0.66 HTT (0.47) PIK3CATP53KMT2AMEN1TSHR
SCHEMBL9760977 0.66 POLB (0.52) TP53KMT2AMEN1TSHRHSD17B10
SCHEMBL14334236 0.66 KMT2A (0.43) TP53KMT2AMEN1TSHRHSD17B10

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-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO disclosed