SCHEMBL7981369

SCHEMBL7981369

C1=C(CCNc2nc3ccccc3n3cncc23)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.61
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7983552 0.77 LCK (0.67) LCKKDM4EHPGD
SCHEMBL7983557 0.77 LCK (0.70) LCKNPC1RAB9A
SCHEMBL7969596 0.76 LCK (1.00) LCKMEN1KMT2A
SCHEMBL7980293 0.75 LCK (0.66) LCK
SCHEMBL7699390 0.74 ALDH1A1 (0.49) KDM4EALDH1A1MEN1NPC1MAPT
SCHEMBL7981429 0.73 LCK (0.74) LCK
SCHEMBL7983684 0.73 LCK (0.83) LCK
SCHEMBL7983198 0.72 LCK (1.00) LCK
SCHEMBL7983608 0.72 LCK (0.81) LCK
SCHEMBL7984444 0.72 LCK (0.65) 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