SCHEMBL7983198

SCHEMBL7983198

Clc1cccc(CCNc2nc3ccccc3n3cncc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 1.00
MAPK8 P45983 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 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
SCHEMBL7970104 0.83 LCK (0.72) LCK
SCHEMBL7983552 0.81 LCK (0.67) LCKMAPK8
SCHEMBL7983557 0.81 LCK (0.70) LCKMAPK8
SCHEMBL7969596 0.77 LCK (1.00) LCK
SCHEMBL7980641 0.77 LCK (0.67) LCKMAPK8
SCHEMBL7983684 0.76 LCK (0.83) LCK
SCHEMBL7980293 0.76 LCK (0.66) LCKMAPK8
SCHEMBL7983608 0.75 LCK (0.81) LCK
SCHEMBL7984444 0.75 LCK (0.65) LCK
SCHEMBL7697732 0.74 LCK (0.58) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed