SCHEMBL2295162

SCHEMBL2295162

COC(=O)C[C@H](c1ccccc1)n1cnc2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.42
LCK P06239 1/20 0.41
TNF P01375 2/20 0.40
HCAR3 P49019 1/20 0.40
MAPT P10636 4/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I2 O75469 1/20 0.37
PLA2G4A P47712 1/20 0.37
PPARG P37231 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 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
SCHEMBL2295709 0.94 TNF (0.40) FGFR1LCKTNFHCAR3MAPT
SCHEMBL2292935 0.89 ALDH1A1 (0.52) FGFR1LCKTNFHCAR3MAPT
SCHEMBL2294183 0.89 MAPT (0.50) FGFR1TNFHCAR3MAPTRAB9A
SCHEMBL2294405 0.89 TNF (0.42) FGFR1LCKTNFHCAR3MAPT
SCHEMBL2292144 0.89 KCNA5 (0.41) LCKTNFALDH1A1KDM4EHSD17B10
SCHEMBL5303602 0.87 FGFR1 (0.47) FGFR1LCKHCAR3MAPTRAB9A
SCHEMBL2295849 0.87 FGFR1 (0.47) FGFR1LCKHCAR3MAPTRAB9A
SCHEMBL2294254 0.83 CYP2C9 (0.38) FGFR1TNFHCAR3MAPTALDH1A1
SCHEMBL2292926 0.83 ALDH1A1 (0.48) FGFR1TNFMAPTALDH1A1HTT
SCHEMBL2298641 0.83 NR1I2 (0.44) MAPTRAB9AALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed