SCHEMBL19575403

SCHEMBL19575403

CC(NC(=O)OCCCCn1cnc2c(N)ncnc21)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADCY5 O95622 4/20 0.51
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ADORA2A P29274 5/20 0.47
▸ EGFR P00533 1/20 0.47
▸ NSD3 Q9BZ95 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ PI4KA P42356 1/20 0.44
▸ PI4K2B Q8TCG2 1/20 0.44
▸ PI4K2A Q9BTU6 1/20 0.44
▸ PI4KB Q9UBF8 1/20 0.44

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
SCHEMBL20972815 1.00 ADCY5 (0.51) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL20973538 0.92 LMNA (0.53) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL20974516 0.91 NSD3 (0.53) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL19575471 0.91 NSD3 (0.53) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL19575394 0.91 NSD3 (0.53) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL20975139 0.90 NSD3 (0.57) ADCY5LMNASMN1; SMN2ADORA2ANSD3
SCHEMBL26212056 0.89 ADCY5 (0.46) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL19575472 0.89 ADCY5 (0.46) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL26212177 0.87 ADORA2A (0.49) ADCY5LMNASMN1; SMN2HPGDADORA2A
SCHEMBL19574920 0.87 ADORA2A (0.49) ADCY5LMNASMN1; SMN2HPGDADORA2A

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-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 — — WO disclosed
Send feedback