SCHEMBL16995305

SCHEMBL16995305

COc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(N)cccc2Cl)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
CDK14 O94921 8/20 0.49
CCNY Q8ND76 8/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
PABPC1 P11940 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 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
SCHEMBL959301 0.93 POLB (0.56) POLBCDK14CCNYSMN1; SMN2KDM4E
SCHEMBL8261466 0.84 CDK14 (0.54) POLBCDK14CCNYSMN1; SMN2JAK1
SCHEMBL957511 0.83 CDK14 (0.54) CDK14CCNYHDAC1JAK1KMT2A
SCHEMBL13993632 0.81 CDK14 (0.56) POLBCDK14CCNYJAK1
SCHEMBL13993635 0.81 CDK14 (0.52) POLBCDK14CCNYSMN1; SMN2JAK1
SCHEMBL954966 0.81 CDK14 (0.55) CDK14CCNYJAK1
SCHEMBL8261470 0.78 CDK14 (0.53) POLBCDK14CCNYSMN1; SMN2JAK1
SCHEMBL13993605 0.77 CDK14 (0.47) CDK14CCNY
SCHEMBL22235816 0.77 MAPT (0.53) POLBSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1286749 0.74 CDK14 (0.53) CDK14CCNYJAK1MEN1KMT2A

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
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed