SCHEMBL8522035

SCHEMBL8522035

COc1cc2nc(N(Cl)c3ccc(F)cc3)ncc2cc1OC[C@@H]1COC(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ MAPK14 Q16539 8/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ EPHA2 P29317 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F2RL3 Q96RI0 1/20 0.33
▸ TTK P33981 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ DRD4 P21917 1/20 0.33

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
SCHEMBL8520906 1.00 JAK2 (0.35) JAK2NTRK1MAPK14PDGFRBPDGFRA
SCHEMBL8444635 0.84 EPHA2 (0.36) PDGFRBPDGFRAEPHA2KDM4EALDH1A1
SCHEMBL8436900 0.77 EPHA2 (0.42) PDGFRBPDGFRAEPHA2KDM4EALDH1A1
SCHEMBL8438071 0.76 KDR (0.38) PDGFRBPDGFRAEPHA2KDM4EALDH1A1
SCHEMBL8444662 0.76 EPHA2 (0.44) PDGFRBPDGFRAEPHA2KDM4EALDH1A1
SCHEMBL6269488 0.75 EGFR (0.42) PDGFRBPDGFRAKDM4EALDH1A1SMN1; SMN2
SCHEMBL5618725 0.74 EHMT2 (0.51) EPHA2KDR
SCHEMBL6266570 0.74 EGFR (0.46) EPHA2KDR
SCHEMBL6266311 0.73 EGFR (0.44) PDGFRBPDGFRAKDM4EALDH1A1SMN1; SMN2
SCHEMBL28962458 0.73 EPHA2 (0.45) EPHA2KDR

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-0892799-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1999-01-27 — — EP claimed
WO-1997038994-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 — — WO claimed
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