SCHEMBL6016053

SCHEMBL6016053

O=C1NSc2ccccc2C1=Cc1c[nH]c2ncccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.66
HASPIN Q8TF76 4/20 0.52
CCNT1 O60563 2/20 0.52
CDK9 P50750 2/20 0.52
KMT2A Q03164 1/20 0.49
CHEK2 O96017 1/20 0.46
CDK1 P06493 1/20 0.46
SRC P12931 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
NTRK1 P04629 4/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 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
SCHEMBL6015962 0.82 NTRK1 (0.62) CHEK1KMT2ACDK1NTRK1DAPK3
SCHEMBL857064 0.80 CHEK1 (1.00) CHEK1HASPINCCNT1CDK9KMT2A
SCHEMBL8464120 0.80 CHEK1 (1.00) CHEK1HASPINCCNT1CDK9KMT2A
SCHEMBL8464117 0.80 CHEK1 (1.00) CHEK1HASPINCCNT1CDK9KMT2A
SCHEMBL6288779 0.78 CHEK1 (0.76) CHEK1HASPINCCNT1CDK9KMT2A
SCHEMBL6288777 0.78 CHEK1 (0.76) CHEK1HASPINCCNT1CDK9KMT2A
SCHEMBL6090414 0.73 CHEK1 (0.61) CHEK1HASPINCCNT1CDK9KMT2A
SCHEMBL6090410 0.73 CHEK1 (0.61) CHEK1HASPINCCNT1CDK9KMT2A
SCHEMBL7549754 0.72 NTRK1 (0.71) CHEK1CHEK2CDK1SRCCSNK2A2
SCHEMBL7549757 0.72 NTRK1 (0.71) CHEK1CHEK2CDK1SRCCSNK2A2

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-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed