SCHEMBL18744657

SCHEMBL18744657

CC(O)C(O)C(CO)OCn1cc(-c2cccc3ccccc23)c2c(N)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 14/20 0.45
▸ ABL1 P00519 4/20 0.42
▸ PRKD3 O94806 2/20 0.42
▸ PRKD1 Q15139 2/20 0.42
▸ PRKD2 Q9BZL6 2/20 0.42
▸ RIPK2 O43353 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CSK P41240 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ CAMK2A Q9UQM7 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ TEK Q02763 3/20 0.41
▸ LCK P06239 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ HCK P08631 1/20 0.40
▸ ABL2 P42684 2/20 0.38
▸ RET P07949 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
SCHEMBL15241440 0.86 SRC (0.61) SRCABL1EGFRTEKLCK
SCHEMBL18744642 0.82 PIKFYVE (0.49) SRCABL1RIPK2EGFRTEK
SCHEMBL18744658 0.80 SRC (0.44) SRCABL1CDK2EGFRTEK
SCHEMBL18744587 0.80 SRC (0.44) SRCABL1CDK2EGFRTEK
SCHEMBL13656694 0.79 DYRK3 (0.52) SRCPRKD3PRKD2CSNK1DTEK
SCHEMBL19277019 0.79 DYRK3 (0.52) SRCPRKD3PRKD2CSNK1DTEK
SCHEMBL18744617 0.79 SRC (0.46) SRCABL1EGFRTEKLCK
SCHEMBL18744602 0.75 SRC (0.65) SRCABL1EGFRTEKLCK
SCHEMBL13063927 0.75 PRMT5 (0.39) —
SCHEMBL13656692 0.74 ADK (0.48) SRCEGFRLCKKDRRET

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
US-9624257-B2 7-deazapurine nucleosides for therapeutic uses INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ASCR, V.V.I. (CZ) 2017-04-18 — — US disclosed
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