SCHEMBL7981693

SCHEMBL7981693

COc1ccccc1CNc1nc2ccccc2n2cncc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.66
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.50
USP2 O75604 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL7986755 0.83 LCK (0.63) LCK
SCHEMBL7980569 0.82 KDM4E (0.65) LCKTP53
SCHEMBL31500073 0.81 LCK (0.61) LCKMAPTPOLBTP53LMNA
SCHEMBL7969915 0.80 LCK (1.00) LCKMAPTTP53LMNA
SCHEMBL7970006 0.80 LCK (0.78) LCK
SCHEMBL7980641 0.79 LCK (0.67) LCKALDH1A1
SCHEMBL7969734 0.78 LCK (0.58) LCK
SCHEMBL7970737 0.76 LCK (0.55) LCK
SCHEMBL7969596 0.76 LCK (1.00) LCKMEN1KMT2A
SCHEMBL7981952 0.76 LCK (0.71) LCKPOLBALDH1A1

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