SCHEMBL7979822

SCHEMBL7979822

Cc1ncn2c1c(Cl)nc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.61
PTPN1 P18031 2/20 0.47
PTPN2 P17706 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
GABRA1 P14867 2/20 0.40
GABRA5 P31644 2/20 0.40
TYMS P04818 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH3A1 P30838 1/20 0.38
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
SCHEMBL7983412 0.85 LCK (0.48) LCKPTPN1PTPN2SMN1; SMN2GABRA1
SCHEMBL31137271 0.81 LCK (0.54) LCKPTPN1PTPN2GABRA1GABRA5
SCHEMBL7987230 0.77 LCK (1.00) LCKKDM4EALDH1A1HPGDMEN1
SCHEMBL11090333 0.76 ALDH1A1 (0.42) LCKSMN1; SMN2TYMSKDM4EALDH1A1
SCHEMBL11082707 0.75 GABRA1 (0.51) SMN1; SMN2GABRA1GABRA5KDM4EALDH1A1
SCHEMBL7987544 0.74 LCK (0.73) LCK
SCHEMBL31137531 0.73 LCK (0.39) LCKPTPN1KDM4EALDH1A1GLA
SCHEMBL7983721 0.73 LCK (0.66) LCKKMT2ARAB9ANPC1
SCHEMBL31554053 0.72 LCK (0.48) LCKSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL9773340 0.70 PTPN2 (0.46) LCKPTPN1PTPN2SMN1; SMN2KDM4E

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 1 patent. 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 disclosed