SCHEMBL4687330

SCHEMBL4687330

COc1cc2cnc(Oc3cccc4c3OCO4)nc2cc1OCCCS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.39
KDR P35968 6/20 0.39
MKNK1 Q9BUB5 6/20 0.38
EHMT2 Q96KQ7 2/20 0.34
EHMT1 Q9H9B1 2/20 0.34
CSK P41240 2/20 0.33
TEK Q02763 2/20 0.33
EPHB4 P54760 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3202634 0.81 KDR (0.50) SRCKDRCSKTEKEPHB4
Hydrochloric Acid SCHEMBL5214533 0.72 SRC (0.69) SRCKDRCSKTEKEPHB4
SCHEMBL1012610 0.71 ALDH1A1 (0.65) KDRMKNK1EHMT2EHMT1KDM4E
SCHEMBL3204423 0.68 KDR (0.49) SRCKDRCSKTEKEPHB4
SCHEMBL3201199 0.68 SRC (0.51) SRCKDRCSKTEKEPHB4
SCHEMBL3195370 0.64 SRC (0.63) SRCKDRCSKTEKEPHB4
SCHEMBL3206699 0.64 SRC (0.74) SRCKDRCSKTEK
SCHEMBL1145699 0.64 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL13534270 0.62 MTNR1A (0.50) TDP1KDM4EALDH1A1
SCHEMBL27836799 0.61 MKNK1 (0.39) MKNK1

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-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP claimed