SCHEMBL7979987

SCHEMBL7979987

Brc1ccccc1Nc1nc2ccccc2n2cnc(-c3ccccc3)c12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.58
ABCG2 Q9UNQ0 1/20 0.47
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK8 P45983 1/20 0.39
ALK Q9UM73 1/20 0.38

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
SCHEMBL7970141 0.79 LCK (0.56) LCKABCG2TP53HPGDHSD17B10
SCHEMBL7983481 0.73 LCK (0.49) LCKTP53HPGDHSD17B10LMNA
SCHEMBL7987230 0.68 LCK (1.00) LCKTP53HPGDHSD17B10KDM4E
SCHEMBL7983501 0.67 LCK (1.00) LCKABCG2TP53LMNASMN1; SMN2
SCHEMBL7969727 0.67 LCK (0.67) LCKTP53HPGDHSD17B10KDM4E
SCHEMBL7983262 0.66 LCK (0.41) LCKABCG2TP53HPGDHSD17B10
SCHEMBL22649103 0.66 ABCG2 (0.49) LCKABCG2TP53HPGDLMNA
SCHEMBL7983573 0.66 LCK (0.43) LCKTP53HPGDKDM4EALDH1A1
SCHEMBL28109995 0.66 KDM4E (0.48) LCKABCG2HSD17B10LMNAMAPK1
SCHEMBL7983496 0.65 LCK (0.66) LCKABCG2TP53SMN1; 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