SCHEMBL25219873

SCHEMBL25219873

COc1c(Oc2cccnc2)nc(N2CCOCC2)nc1-n1cc(-c2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 6/20 0.47
▸ HTT P42858 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ITK Q08881 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIK3R1 P27986 2/20 0.38
▸ EGLN1 Q9GZT9 2/20 0.38
▸ MTOR P42345 3/20 0.38
▸ GBA1 P04062 1/20 0.37

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
SCHEMBL30447687 1.00 PIK3CA (0.47) PIK3CAHTTCYP1A2CYP2C9TSHR
SCHEMBL25256747 0.78 PIK3CA (0.51) PIK3CAHTTCYP1A2CYP2C9TSHR
SCHEMBL31277403 0.78 PIK3CA (0.51) PIK3CAHTTCYP1A2CYP2C9TSHR
SCHEMBL30448143 0.73 PIK3CA (0.53) PIK3CAPIK3R1EGLN1
SCHEMBL25251216 0.73 PIK3CA (0.53) PIK3CAPIK3R1EGLN1
SCHEMBL25402946 0.72 PIK3CA (0.60) PIK3CAPOLBPIK3R1
SCHEMBL30503099 0.72 PIK3CA (0.60) PIK3CAPOLBPIK3R1
SCHEMBL25219061 0.71 PIK3CA (0.59) PIK3CAHTTITKALDH1A1SMN1; SMN2
SCHEMBL30446982 0.71 PIK3CA (0.59) PIK3CAHTTITKALDH1A1SMN1; SMN2
SCHEMBL25403044 0.70 PIK3CA (0.63) PIK3CAPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107603-A1 PYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
WO-2023107603-A1 PYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 — — WO disclosed
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