Sugi Predict

Sugi Predict / Compounds / SCHEMBL7979976

SCHEMBL7979976

SCHEMBL7979976

c1ccc2c(c1)nc(NC1CCCCC1)c1cncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 15/20 1.00
▸ ALDH1A1 P00352 1/20 0.64
▸ TOP2A P11388 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ MAPK8 P45983 1/20 0.60
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL7983738 0.93 LCK (1.00) LCKALDH1A1TOP2ASMN1; SMN2
SCHEMBL7979842 0.82 LCK (0.74) LCKALDH1A1TOP2ASMN1; SMN2
SCHEMBL7970323 0.78 LCK (0.67) LCK
SCHEMBL7969987 0.77 LCK (0.66) LCKSMN1; SMN2KMT2A
SCHEMBL7969983 0.77 LCK (0.66) LCKSMN1; SMN2KMT2A
SCHEMBL7983184 0.77 LCK (0.62) LCK
SCHEMBL7341576 0.76 TOP2A (0.97) LCKALDH1A1TOP2ASMN1; SMN2MAPK8
SCHEMBL8117091 0.75 MAPK8 (1.00) LCKALDH1A1TOP2ASMN1; SMN2MAPK8
SCHEMBL8118642 0.74 MAPK8 (0.97) LCKALDH1A1TOP2ASMN1; SMN2MAPK8
SCHEMBL4931040 0.73 LCK (1.00) LCKSMN1; 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 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