SCHEMBL8814758

SCHEMBL8814758

CC(=O)c1ccccc1-c1nc(-c2cccc(C)n2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 15/20 0.47
▸ MAPK14 Q16539 3/20 0.46
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ FGFR1 P11362 1/20 0.38

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
SCHEMBL8818444 0.82 ADORA2A (0.56) TGFBR1MAPK14SMN1; SMN2MEN1KMT2A
SCHEMBL8815685 0.82 TGFBR1 (0.51) TGFBR1MAPK14
SCHEMBL8819090 0.81 TGFBR1 (0.48) TGFBR1MAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL8817142 0.80 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL8818447 0.80 ADORA2A (0.54) TGFBR1MAPK14MEN1KMT2A
SCHEMBL8815690 0.80 TGFBR1 (0.49) TGFBR1MAPK14CLK4
SCHEMBL8818439 0.80 TGFBR1 (0.49) TGFBR1MAPK14KMT2A
SCHEMBL8816938 0.79 TGFBR1 (0.50) TGFBR1MAPK14
SCHEMBL8819278 0.78 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL8816582 0.78 ADORA2A (0.58) TGFBR1MAPK14SMN1; SMN2MEN1KMT2A

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
WO-2012066122-A1 2 - (PYRIDIN- 2 -YL) -QUINAZOLINE DERIVATIVES AND THEIR USE AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-24 — — WO disclosed
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