SCHEMBL31060645

SCHEMBL31060645

COc1ccc(/C=C(\C#N)c2cccnc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ EGFR P00533 2/20 1.00
▸ RECQL P46063 1/20 1.00
▸ HIF1A Q16665 1/20 1.00
▸ PDGFRB P09619 1/20 1.00
▸ PDGFRA P16234 1/20 1.00
▸ MAPT P10636 4/20 0.60
▸ POLB P06746 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CYP1A1 P04798 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP1B1 Q16678 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ CLK1 P49759 2/20 0.52
▸ DYRK1A Q13627 2/20 0.52

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
SCHEMBL29800237 1.00 SMN1; SMN2 (1.00) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL1959494 1.00 SMN1; SMN2 (1.00) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL241869 1.00 SMN1; SMN2 (1.00) SMN1; SMN2EGFRRECQLHIF1APDGFRB
Hydrochloric Acid SCHEMBL1957337 0.99 SMN1; SMN2 (0.98) SMN1; SMN2EGFRRECQLHIF1APDGFRB
Hydrochloric Acid SCHEMBL1957339 0.99 SMN1; SMN2 (0.98) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL6782221 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL6782225 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL6782228 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL17232854 0.90 EGFR (0.82) SMN1; SMN2EGFRRECQLHIF1APDGFRB
SCHEMBL17232864 0.87 SMN1; SMN2 (0.77) SMN1; SMN2EGFRRECQLHIF1APDGFRB

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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