SCHEMBL7987230

SCHEMBL7987230

Cc1ncn2c1c(Nc1ccccc1Cl)nc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 1.00
NPC1 O15118 2/20 0.54
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.42
GSK3B P49841 1/20 0.42

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
SCHEMBL7987544 0.84 LCK (0.73) LCK
SCHEMBL7969727 0.80 LCK (0.67) LCKNPC1KMT2AMEN1KDM4E
SCHEMBL7983721 0.80 LCK (0.66) LCKNPC1KMT2ATP53RXFP1
SCHEMBL7979822 0.77 LCK (0.61) LCKNPC1KMT2AMEN1KDM4E
SCHEMBL7979866 0.75 LCK (1.00) LCK
SCHEMBL7983816 0.75 LCK (0.67) LCK
SCHEMBL18795879 0.73 LCK (0.57) LCKNPC1KMT2AMEN1KDM4E
SCHEMBL31137271 0.71 LCK (0.54) LCKNPC1KDM4EALDH1A1HPGD
SCHEMBL7970045 0.69 LCK (0.53) LCKNPC1POLBALDH1A1TP53
SCHEMBL7979667 0.69 LCK (0.59) 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