SCHEMBL30359508

SCHEMBL30359508

C[C@@H]1CN(c2nnc3cnc4ccc(Cl)nc4n23)C[C@H](C)N1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.39
MET P08581 2/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
LCK P06239 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CDK6 Q00534 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
LMNA P02545 1/20 0.31
BCL6 P41182 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL21541888 1.00 PTPN11 (0.39) PTPN11METPDE3BPDE3AHRH4
SCHEMBL21541873 0.86 HRH4 (0.33) HRH4CYP11B1CYP11B2KMT2A
SCHEMBL30359522 0.86 HRH4 (0.33) HRH4CYP11B1CYP11B2KMT2A
SCHEMBL21541863 0.74 SIGMAR1 (0.38) PTPN11METPDE3BPDE3AKMT2A
SCHEMBL30359498 0.74 SIGMAR1 (0.38) PTPN11METPDE3BPDE3AKMT2A
SCHEMBL20374558 0.74 SIGMAR1 (0.38) PTPN11METPDE3BPDE3AKMT2A
SCHEMBL14901231 0.70 PTPN11 (0.38) PTPN11HRH4CHRNB4CHRNA3KMT2A
SCHEMBL21541814 0.67 PRKDC (0.58)
SCHEMBL31104892 0.65 CHRNB2 (0.66) CHRNB4CHRNA3KMT2ACHRNB2CHRNA4
SCHEMBL10756477 0.65 CHRNB2 (0.66) CHRNB4CHRNA3KMT2ACHRNB2CHRNA4

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-110167941-B Substituted fused heteroaryl compounds as kinase inhibitors and uses thereof 上海瑛派药业有限公司 2023-04-04 CN disclosed