SCHEMBL30460896

SCHEMBL30460896

CSc1ncc2cc(Cl)nc(Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
HASPIN Q8TF76 2/20 0.43
POLB P06746 1/20 0.34
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AHR P35869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RPS6KA5 O75582 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL25275333 1.00 KMT2A (0.44) KMT2AMEN1HASPINPOLBGAA
SCHEMBL15507768 0.84 HASPIN (0.42) KMT2AMEN1HASPINPOLBGAA
SCHEMBL27034848 0.84 HASPIN (0.42) KMT2AMEN1HASPINPOLBGAA
SCHEMBL26341310 0.80 HASPIN (0.40) KMT2AMEN1HASPINGAAHTT
SCHEMBL21133651 0.80 HASPIN (0.40) KMT2AMEN1HASPINGAAHTT
SCHEMBL25230721 0.80 HASPIN (0.40) KMT2AMEN1HASPINPOLBHTT
SCHEMBL30460844 0.80 HASPIN (0.40) KMT2AMEN1HASPINPOLBHTT
SCHEMBL21402713 0.80 HASPIN (0.40) KMT2AMEN1HASPINGAAHTT
SCHEMBL25276973 0.79 HASPIN (0.39) KMT2AMEN1HASPINGAAHTT
SCHEMBL25230364 0.79 HASPIN (0.39) KMT2AMEN1HASPINGAAHTT

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
CN-116354957-A CDK9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2023-06-30 CN disclosed