SCHEMBL6817679

SCHEMBL6817679

COc1cc(C)c(-c2ccnc(NCCCC3CC3)c2N)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
KMT5A Q9NQR1 1/20 0.34
SUV39H2 Q9H5I1 6/20 0.33
PGK1 P00558 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ACHE P22303 1/20 0.32
HTR4 Q13639 1/20 0.32
TNF P01375 1/20 0.32
DYRK1A Q13627 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32

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
SCHEMBL6822467 0.88 KMT5A (0.34) KMT5ABRD4TNFEHMT2
SCHEMBL6817664 0.88 KMT5A (0.34) STK17BSTK17AKMT5ABRD4LRRK2
SCHEMBL6817843 0.83 SCN9A (0.37) STK17BSTK17AKMT5ALRRK2TNF
SCHEMBL6817533 0.83 HSP90AA1 (0.37) KMT5A
SCHEMBL6817777 0.81 BRD4 (0.37) BRD4
SCHEMBL6818015 0.79 ACP1 (0.36) KMT5ABRD4
SCHEMBL6084266 0.77 IDO1 (0.35) SMN1; SMN2
SCHEMBL6813647 0.75 ACP1 (0.43) SMN1; SMN2
SCHEMBL6817674 0.74 CRHR1 (0.36) ACHE
SCHEMBL6814612 0.74 BCHE (0.30) ACHE

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-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO disclosed