SCHEMBL31060463

SCHEMBL31060463

CC(C)N1Cc2cncnc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.34
▸ P2RX3 P56373 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ PIK3CD O00329 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ HCK P08631 1/20 0.30
▸ SRC P12931 1/20 0.30
▸ KDR P35968 1/20 0.30

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
SCHEMBL3640565 1.00 KCNH2 (0.34) KCNH2P2RX3ALDH1A1CYP1A2CYP3A4
SCHEMBL21676756 0.77 CDC25B (0.34) CYP1A2CYP3A4GABRG2GABRB3GABRA5
SCHEMBL4371798 0.74 KCNH2 (0.38) KCNH2P2RX3CYP2C9IDH1GRM5
SCHEMBL16478074 0.74 KCNH2 (0.38) KCNH2P2RX3IDH1GRM5GRM1
SCHEMBL29620470 0.73 ADAM17 (0.34) IDH1GABRG2GABRB3GABRA5GRM5
SCHEMBL9252869 0.73 ADAM17 (0.45) P2RX3ALDH1A1IDH1GRM5GRM1
SCHEMBL3640566 0.71 LMNA (0.39) ALDH1A1GABRG2GABRB3GABRA5GRM5
SCHEMBL9259806 0.70 IDH1 (0.43) KCNH2ALDH1A1CYP3A4IDH1GRM5
SCHEMBL12386590 0.69 AADAT (0.40) KCNH2P2RX3IDH1GRM5GRM1
SCHEMBL24810222 0.68 P2RX3 (0.32) KCNH2P2RX3IDH1GRM5GRM1

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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