SCHEMBL4700054

SCHEMBL4700054

O=C(C1CCCO1)N1CCC(Oc2ccc3c(NO)nc(Cc4cccc(Cl)c4F)nc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.42
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ EGFR P00533 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ERBB2 P04626 1/20 0.36

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
SCHEMBL4700053 0.79 EGFR (0.46) NAMPTEGFRALDH1A1SMN1; SMN2ERBB2
SCHEMBL18318465 0.68 NAMPT (0.49) NAMPTUSP2POLBMAPK1ALDH1A1
SCHEMBL18319017 0.68 NAMPT (0.49) NAMPTUSP2POLBMAPK1ALDH1A1
SCHEMBL1386571 0.68 EGFR (0.74) EGFRERBB2
SCHEMBL4080241 0.68 EGFR (0.74) EGFRERBB2
SCHEMBL4090572 0.68 EGFR (0.74) EGFRERBB2
SCHEMBL18318322 0.66 NAMPT (0.50) NAMPTPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL18318324 0.66 NAMPT (0.50) NAMPTPOLBMAPK1ALDH1A1SMN1; SMN2
SCHEMBL18318726 0.66 NAMPT (0.50) NAMPTALDH1A1KDM4E
SCHEMBL18318724 0.66 NAMPT (0.50) NAMPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 — — EP claimed
Send feedback