SCHEMBL9709110

SCHEMBL9709110

c1ccc(-c2ccc3nccc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.87
CAMKK1 Q8N5S9 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
ACVR1 Q04771 5/20 0.54
MAP4K4 O95819 2/20 0.53
MAPKAPK2 P49137 4/20 0.50
AKT1 P31749 3/20 0.49
ALK Q9UM73 2/20 0.47
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
PAK4 O96013 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
FLT1 P17948 1/20 0.46

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
SCHEMBL30440293 0.88 PIK3CA (0.69) PIK3CACAMKK1CAMKK2ACVR1MAP4K4
SCHEMBL19618305 0.87 PIK3CA (0.68) PIK3CACAMKK1CAMKK2ACVR1AURKB
SCHEMBL19618388 0.87 PIK3CA (0.68) PIK3CACAMKK1CAMKK2ACVR1AURKB
SCHEMBL17320781 0.87 PIK3CA (0.86) PIK3CACAMKK1CAMKK2ACVR1MAP4K4
SCHEMBL28084614 0.85 PIK3CA (0.66) PIK3CACAMKK1CAMKK2ACVR1MAP4K4
SCHEMBL730188 0.85 PIK3CA (0.87) PIK3CAACVR1MAP4K4AKT1ALK
SCHEMBL12074333 0.85 PIK3CA (0.65) PIK3CACAMKK1CAMKK2ACVR1MAP4K4
SCHEMBL19618397 0.84 PIK3CA (0.64) PIK3CACAMKK1CAMKK2ACVR1
SCHEMBL17320796 0.84 PIK3CA (0.64) PIK3CACAMKK1CAMKK2ACVR1MAP4K4
SCHEMBL529894 0.84 PIK3CA (0.64) PIK3CACAMKK1CAMKK2ACVR1MAPKAPK2

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-1992008604-A1 FABRIC BASED ARTICLES HAVING IMPROVED PENETRATION RESISTANCE ALLIED-SIGNAL INC. (US) 1992-05-29 WO disclosed