SCHEMBL5493950

SCHEMBL5493950

COc1cc2c(C3C(=O)Nc4cc(C(F)(F)F)cnc43)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.51
KDM1A O60341 1/20 0.49
AURKA O14965 2/20 0.49
CHEK1 O14757 1/20 0.48
SRC P12931 5/20 0.48
KDR P35968 4/20 0.47
BRAF P15056 2/20 0.47
ILK Q13418 1/20 0.47
KIT P10721 3/20 0.47
FLT4 P35916 2/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
ABCC4 O15439 1/20 0.47
DAPK3 O43293 1/20 0.47
RIPK2 O43353 1/20 0.47
NR1I2 O75469 1/20 0.47
RPS6KA4 O75676 1/20 0.47
STK17B O94768 1/20 0.47
STK10 O94804 1/20 0.47

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
SCHEMBL7209528 0.90 CHEK1 (0.58) EGFRKDM1ACHEK1SRCKDR
SCHEMBL7211414 0.83 CHEK1 (0.58) EGFRKDM1AAURKACHEK1SRC
SCHEMBL7205019 0.83 CHEK1 (0.58) EGFRKDM1AAURKACHEK1SRC
SCHEMBL7209868 0.82 EGFR (0.55) EGFRKDM1AAURKACHEK1SRC
SCHEMBL4506578 0.82 CHEK1 (0.60) EGFRKDM1AAURKACHEK1SRC
Hydrochloric Acid SCHEMBL7211395 0.82 CHEK1 (0.57) EGFRKDM1AAURKACHEK1SRC
Hydrochloric Acid SCHEMBL7205696 0.82 CHEK1 (0.59) EGFRKDM1AAURKACHEK1SRC
SCHEMBL7206973 0.81 CHEK1 (0.54) EGFRKDM1AAURKACHEK1SRC
SCHEMBL6587892 0.81 CHEK1 (0.60) EGFRKDM1ACHEK1SRCKDR
SCHEMBL7205355 0.81 CHEK1 (0.54) EGFRKDM1AAURKACHEK1SRC

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP claimed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US claimed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP claimed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO claimed
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed