SCHEMBL14560449

SCHEMBL14560449

CN(C)C(=O)CCc1c(C=O)n(C)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.47
▸ SRC P12931 2/20 0.45
▸ TDP1 Q9NUW8 5/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ ATM Q13315 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 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
SCHEMBL14560448 0.85 EGFR (0.50) EGFRSRCTDP1L3MBTL1ATM
SCHEMBL14560443 0.85 EGFR (0.64) EGFRTDP1L3MBTL1ATMALDH1A1
SCHEMBL14560451 0.81 HTR6 (0.47) EGFRSRCTDP1L3MBTL1ATM
SCHEMBL14560446 0.78 RAD52 (0.49) EGFRTDP1L3MBTL1ATMALDH1A1
SCHEMBL14560453 0.78 ALDH1A1 (0.48) EGFRTDP1L3MBTL1ATMALDH1A1
SCHEMBL14560411 0.72 ATM (0.43) EGFRSRCTDP1L3MBTL1ATM
SCHEMBL14560439 0.70 CNR1 (0.50) TDP1L3MBTL1ATMALDH1A1HPGD
SCHEMBL14560406 0.69 EGFR (0.66) EGFRSRCALDH1A1KDM4EMAPT
SCHEMBL17237754 0.68 EGFR (0.38) EGFRSRCL3MBTL1ALDH1A1KDM4E
SCHEMBL8660343 0.68 SMN1; SMN2 (0.46) EGFRSRCALDH1A1HPGDHSD17B10

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
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 — — US disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 — — US disclosed
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