SCHEMBL27385213

SCHEMBL27385213

Cc1cc(C(C)O)c2nc(N3Cc4ccccc4C3)[nH]c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.42
▸ HTR3A P46098 2/20 0.39
▸ PIK3CA P42336 6/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ TIPARP Q7Z3E1 1/20 0.35
▸ SPR P35270 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ S1PR2 O95136 1/20 0.34

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
SCHEMBL30721005 1.00 RAB9A (0.42) RAB9AHTR3APIK3CAPIK3CBMTOR
SCHEMBL27385235 0.89 RAB9A (0.42) RAB9AHTR3APIK3CAPIK3CBMTOR
SCHEMBL30720995 0.89 RAB9A (0.42) RAB9AHTR3APIK3CAPIK3CBMTOR
SCHEMBL30721036 0.81 HTR3A (0.41) RAB9AHTR3AMGLLMAPTALDH1A1
SCHEMBL27385186 0.81 HTR3A (0.41) RAB9AHTR3AMGLLMAPTALDH1A1
SCHEMBL26129488 0.81 PIK3CA (0.60) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30590192 0.81 PIK3CA (0.60) PIK3CAPIK3CBMTORPRKDCPIK3C3
SCHEMBL30720989 0.81 HDAC11 (0.40) RAB9AHTR3APIK3CAPIK3CBMTOR
SCHEMBL30783864 0.81 KMT2A (0.44) PIK3CBMGLLALDH1A1MEN1KMT2A
SCHEMBL27385200 0.81 HDAC11 (0.40) RAB9AHTR3APIK3CAPIK3CBMTOR

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-2024081904-A1 METHODS FOR TREATING CANCER GENESIS THERAPEUTICS, INC. (US) 2024-04-18 — — WO disclosed
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