SCHEMBL27171964

SCHEMBL27171964

O=C(O)n1ccc2ncc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
ALDH1A1 P00352 2/20 0.33
NAPRT Q6XQN6 1/20 0.33
PARP1 P09874 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A12 Q96S37 3/20 0.31
ALK Q9UM73 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CXCR3 P49682 1/20 0.30
MGAM O43451 1/20 0.30
SIRT6 Q8N6T7 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
SCHEMBL28205257 0.87 ELANE (0.40) ELANEALDH1A1NAPRTPARP1SLC22A12
SCHEMBL25909815 0.78 HSP90AA1 (0.44) ELANEALDH1A1KDM4E
SCHEMBL15157548 0.76 GRIN2B (0.41) ALDH1A1HPGDKDM4ECXCR3
SCHEMBL2718108 0.75 FGFR1 (0.38) ALDH1A1NAPRTGAASMN1; SMN2
SCHEMBL28881483 0.74 PARP1 (0.44) PARP1SLC22A12SLC22A6ABCG2
SCHEMBL15569948 0.72 PARP1 (0.31) PARP1
SCHEMBL2964956 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL22772829 0.71 ALDH1A1 (0.34) ALDH1A1NAPRTSIRT6
SCHEMBL17464104 0.70 FGFR1 (0.37) ALDH1A1HPGDALKGAASMN1; SMN2
SCHEMBL17714320 0.70 RPS6KA5 (0.36) ELANEALDH1A1SLC22A12ALKKDM4E

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-4337660-A1 HETEROCYCLIC DERIVATIVES AS CAMKK2 INHIBITORS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed