SCHEMBL17001192

SCHEMBL17001192

Nc1nc2c(c(On3nnc4ccccc43)n1)CC(c1c(Cl)cccc1Cl)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ SYK P43405 1/20 0.32
▸ TP53 P04637 2/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL16986342 0.85 KMT2A (0.36) KMT2ASMN1; SMN2TSHRCASP3SENP8
SCHEMBL16995178 0.84 POLB (0.34) KMT2ASYKSIRT2NPC1RAB9A
SCHEMBL16986358 0.79 TP53 (0.36) TP53MAPT
SCHEMBL16986356 0.75 KMT2A (0.38) KMT2ASYKSMN1; SMN2TSHRCASP3
SCHEMBL16986309 0.74 KCNJ5 (0.34) TP53TSHR
SCHEMBL16986348 0.72 CDK1 (0.35) TP53NPC1
SCHEMBL16986347 0.71 KMT2A (0.36) KMT2ASMN1; SMN2TSHRCASP3SENP8
SCHEMBL16995175 0.71 SCN9A (0.32) KMT2ASYKTSHRMAPTHPGD
SCHEMBL16995177 0.70 KCNH3 (0.33) KMT2ATSHRNPC1HPGDRAB9A
SCHEMBL16310227 0.67 TP53 (0.38) TP53MAPT

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
WO-2015118110-A1 PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) 2015-08-13 — — WO disclosed
Send feedback