SCHEMBL7983501

SCHEMBL7983501

Cc1ncc2c(Nc3ccccc3Br)nc3ccccc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 1.00
TP53 P04637 4/20 0.57
GSK3B P49841 1/20 0.45
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
POLB P06746 1/20 0.41
TNKS O95271 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL7983496 0.80 LCK (0.66) LCKTP53GSK3BSMN1; SMN2ABCG2
SCHEMBL7969745 0.69 LCK (0.80) LCK
SCHEMBL7983647 0.68 LCK (0.74) LCKMEN1KMT2A
SCHEMBL4036600 0.68 LCK (0.73) LCKTP53
SCHEMBL7979987 0.67 LCK (0.58) LCKTP53LMNASMN1; SMN2ABCG2
SCHEMBL7981225 0.66 LCK (0.74) LCK
SCHEMBL7983627 0.66 LCK (0.76) LCK
SCHEMBL2819718 0.66 IKBKB (0.69) LCKTP53LMNASMN1; SMN2HIF1A
SCHEMBL7970141 0.65 LCK (0.56) LCKTP53GSK3BLMNASMN1; SMN2
SCHEMBL3940988 0.64 ALDH1A1 (0.50) LCKTP53SMN1; SMN2MAPTABCG2

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