SCHEMBL7979842

SCHEMBL7979842

O=C(O)N1CCC(Nc2nc3ccccc3n3cncc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.74
ALDH1A1 P00352 1/20 0.45
TOP2A P11388 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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 0.86 LCK (1.00) LCKALDH1A1TOP2ASMN1; SMN2
SCHEMBL7979976 0.82 LCK (1.00) LCKALDH1A1TOP2ASMN1; SMN2
SCHEMBL7969987 0.78 LCK (0.66) LCKSMN1; SMN2
SCHEMBL7969983 0.78 LCK (0.66) LCKSMN1; SMN2
SCHEMBL1427753 0.71 KMT2A (0.49) SMN1; SMN2
SCHEMBL16538448 0.70 JAK3 (0.52)
SCHEMBL4931040 0.70 LCK (1.00) LCKSMN1; SMN2
SCHEMBL7980932 0.69 LCK (0.74) LCK
SCHEMBL9376187 0.68 LCK (0.54) LCK
SCHEMBL3801054 0.68 SPR (0.50) ALDH1A1SMN1; 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 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