SCHEMBL31060674

SCHEMBL31060674

C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 19/20 1.00
▸ RPS6KA3 P51812 5/20 1.00
▸ PRKD3 O94806 1/20 1.00
▸ ADRB2 P07550 1/20 1.00
▸ RET P07949 1/20 1.00
▸ PDGFRA P16234 1/20 1.00
▸ FGFR2 P21802 1/20 1.00
▸ ADORA2A P29274 1/20 1.00
▸ ADRA1A P35348 1/20 1.00
▸ ADRA1B P35368 1/20 1.00
▸ FLT3 P36888 1/20 1.00
▸ CLK1 P49759 1/20 1.00
▸ CLK2 P49760 1/20 1.00
▸ PRKD1 Q15139 1/20 1.00
▸ LRRK2 Q5S007 1/20 1.00
▸ PRKD2 Q9BZL6 1/20 1.00
▸ NISCH Q9Y2I1 1/20 1.00

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
SCHEMBL1980595 1.00 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL1979440 1.00 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL1981288 1.00 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL14891997 0.92 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL1990187 0.92 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL14892672 0.92 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL1978542 0.88 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL12595455 0.88 RPS6KA3 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL1981899 0.88 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET
SCHEMBL14891899 0.88 RPS6KA2 (1.00) RPS6KA2RPS6KA3PRKD3ADRB2RET

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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