SCHEMBL30813462

SCHEMBL30813462

COc1ccc(CNc2ncnc3c2c(B2OC(C)(C)C(C)(C)O2)cn3C2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 5/20 0.45
▸ EGFR P00533 3/20 0.44
▸ ABL1 P00519 2/20 0.44
▸ ABL2 P42684 2/20 0.44
▸ EPHX2 P34913 1/20 0.40
▸ STS P08842 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CTSD P07339 1/20 0.38
▸ CTSE P14091 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CYP3A4 P08684 3/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL27217956 1.00 SRC (0.45) SRCEGFRABL1ABL2EPHX2
SCHEMBL27217619 0.86 SRC (0.49) SRCEGFRABL1ABL2EPHX2
SCHEMBL30813369 0.86 SRC (0.49) SRCEGFRABL1ABL2EPHX2
SCHEMBL27217966 0.81 CYP1A2 (0.38) MAPTCYP3A4KMT2AMEN1CYP2C9
SCHEMBL30813701 0.81 CYP1A2 (0.38) MAPTCYP3A4KMT2AMEN1CYP2C9
SCHEMBL30813537 0.80 SRC (0.48) SRCEGFRABL1ABL2EPHX2
SCHEMBL27217722 0.80 SRC (0.48) SRCEGFRABL1ABL2EPHX2
SCHEMBL30813419 0.79 EPHX2 (0.44) SRCEGFRABL1ABL2EPHX2
SCHEMBL30813518 0.78 CYP1A2 (0.45) MAPTCYP3A4KMT2AMEN1CYP2C9
SCHEMBL27217755 0.78 CYP1A2 (0.45) MAPTCYP3A4KMT2AMEN1CYP2C9

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-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
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