SCHEMBL7983496

SCHEMBL7983496

Brc1ccccc1Nc1nc2ccccc2n2c(Sc3ccccc3)ncc12

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.66
TP53 P04637 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.35
GSK3B P49841 1/20 0.35
C1R P00736 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL7983501 0.80 LCK (1.00) LCKTP53ABCG2KMT2ASMN1; SMN2
SCHEMBL7979987 0.65 LCK (0.58) LCKTP53ABCG2SMN1; SMN2
SCHEMBL4036600 0.64 LCK (0.73) LCKTP53
SCHEMBL7970141 0.61 LCK (0.56) LCKTP53ABCG2SMN1; SMN2GSK3B
SCHEMBL7969745 0.60 LCK (0.80) LCK
SCHEMBL26486811 0.60 ATM (0.79) TP53KMT2ASMN1; SMN2
SCHEMBL7983647 0.60 LCK (0.74) LCKKMT2A
SCHEMBL7981144 0.60 LCK (0.74) LCK
SCHEMBL2819718 0.59 IKBKB (0.69) LCKTP53KMT2ASMN1; SMN2
SCHEMBL7983541 0.59 LCK (0.77) 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