SCHEMBL6994890

SCHEMBL6994890

COc1ccc2c(c1)-c1nc(Nc3ccc(OCCN4CCCC4)c(OC)c3)ncc1CC2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.60
IGF1R P08069 15/20 0.52
MCHR1 Q99705 1/20 0.48
IKBKB O14920 1/20 0.48
AXL P30530 1/20 0.47

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
SCHEMBL7000248 0.97 FYN (0.60) FYNIGF1RIKBKBAXL
SCHEMBL6991674 0.91 FYN (0.57) FYNIGF1R
SCHEMBL6995009 0.90 FYN (0.57) FYNIGF1RIKBKBAXL
Hydrochloric Acid SCHEMBL6995021 0.90 FYN (0.60) FYNIGF1R
SCHEMBL6996576 0.87 IGF1R (0.55) FYNIGF1RAXL
SCHEMBL6997980 0.85 FYN (0.73) FYNIGF1RIKBKBAXL
SCHEMBL6999961 0.84 FYN (0.60) FYNIGF1RIKBKBAXL
SCHEMBL6999575 0.83 FYN (0.58) FYNIGF1RIKBKB
SCHEMBL7000026 0.82 FYN (0.55) FYNIGF1RIKBKBAXL
Hydrochloric Acid SCHEMBL7000025 0.81 FYN (0.65) FYNIGF1RIKBKBAXL

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
EP-0989985-B1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-11-05 EP disclosed
EP-0989985-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-05 EP disclosed
WO-1998058926-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-12-30 WO disclosed