SCHEMBL8544432

SCHEMBL8544432

COc1ccc(-c2cc(-c3cccc(N(C)N)n3)nc(-c3cccc(N(C)N)n3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
MCL1 Q07820 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
DYRK1A Q13627 2/20 0.39
SYK P43405 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CDK5 Q00535 1/20 0.38
FYN P06241 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL9398061 0.93 MCL1 (0.39) ABL1ABCB1BCRMCL1ADORA3
SCHEMBL12403999 0.77 MCL1 (0.46) MCL1ADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7850867 0.77 ABL1 (0.47) ABL1ABCB1BCRMCL1ADORA3
SCHEMBL7847605 0.76 ABL1 (0.44) ABL1ABCB1BCRMCL1ADORA3
SCHEMBL7847726 0.74 KDM4E (0.50) ABL1ABCB1BCRMCL1SMN1; SMN2
SCHEMBL8548149 0.74 KMT2A (0.41) MCL1ADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL8600130 0.73 TERT (0.47) ABL1ABCB1BCRMCL1ADORA3
SCHEMBL8596986 0.73 ABL1 (0.44) ABL1ABCB1BCRMCL1ADORA3
SCHEMBL7859483 0.73 ADORA3 (0.61) ABL1ABCB1BCRMCL1ADORA3
SCHEMBL5950603 0.73 NPC1 (0.59) ABL1ABCB1BCRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 WO disclosed