SCHEMBL7970020

SCHEMBL7970020

c1ccc2c(c1)nc(N1CCOCC1)c1cncn12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.51
LCK P06239 7/20 0.51
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2C P28335 1/20 0.48
RAD51 Q06609 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HPGD P15428 1/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46

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
SCHEMBL31377532 0.84 CASP1 (0.48) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL8568649 0.81 HTR3E (0.69) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL7983246 0.79 MAPT (0.49) POLBKDM4EMAPTLCKHSD17B10
SCHEMBL7970011 0.78 HTR3E (0.72) KDM4EMAPTHTR1AHTR2CHTR3E
SCHEMBL7981586 0.78 KDM4E (0.71) KDM4EMEN1KMT2AMAPTLCK
SCHEMBL7970505 0.78 LCK (0.67) KDM4EMEN1KMT2AMAPTLCK
SCHEMBL7970094 0.77 LCK (0.57) LCK
SCHEMBL8110805 0.74 HTR3E (0.72) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL29941239 0.69 LCK (0.58) LCK
SCHEMBL7981080 0.69 LCK (0.58) 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