SCHEMBL7983738

SCHEMBL7983738

c1ccc2c(c1)nc(NC1CC1)c1cncn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 1.00
ALDH1A1 P00352 1/20 0.54
TOP2A P11388 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL7979976 0.93 LCK (1.00) LCKALDH1A1TOP2ASMN1; SMN2
SCHEMBL7979842 0.86 LCK (0.74) LCKALDH1A1TOP2ASMN1; SMN2
SCHEMBL7969983 0.81 LCK (0.66) LCKSMN1; SMN2
SCHEMBL7969987 0.81 LCK (0.66) LCKSMN1; SMN2
SCHEMBL4931040 0.77 LCK (1.00) LCKSMN1; SMN2
SCHEMBL7980767 0.75 LCK (1.00) LCK
SCHEMBL7980884 0.75 LCK (1.00) LCK
SCHEMBL7981902 0.75 LCK (1.00) LCK
SCHEMBL7969769 0.74 LCK (0.84) LCKSMN1; SMN2
SCHEMBL7970323 0.74 LCK (0.67) 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 3 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
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO claimed
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed