SCHEMBL14560448

SCHEMBL14560448

Cn1c(C=O)c(CCC(N)=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ TDP1 Q9NUW8 5/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ ATM Q13315 3/20 0.45
▸ SRC P12931 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ LMNA P02545 2/20 0.39

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
SCHEMBL14560443 0.89 EGFR (0.64) EGFRKDM4ETDP1L3MBTL1ATM
SCHEMBL14560449 0.85 EGFR (0.47) EGFRKDM4ETDP1L3MBTL1ATM
SCHEMBL14560411 0.83 ATM (0.43) EGFRKDM4ETDP1L3MBTL1ATM
SCHEMBL14560446 0.82 RAD52 (0.49) EGFRKDM4ETDP1L3MBTL1ATM
SCHEMBL14560453 0.81 ALDH1A1 (0.48) EGFRKDM4ETDP1L3MBTL1ATM
SCHEMBL14560451 0.78 HTR6 (0.47) EGFRKDM4ETDP1L3MBTL1ATM
SCHEMBL8696242 0.75 ALDH1A1 (0.66) EGFRKDM4EL3MBTL1ATMALDH1A1
SCHEMBL11605099 0.73 KDM4E (0.63) KDM4EL3MBTL1ALDH1A1TSHRCNR2
SCHEMBL14560439 0.73 CNR1 (0.50) KDM4ETDP1L3MBTL1ATMALDH1A1
SCHEMBL28826073 0.72 L3MBTL1 (0.46) EGFRKDM4ETDP1L3MBTL1ATM

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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