SCHEMBL11352914

SCHEMBL11352914

COc1ccc(C(=O)NC2CCN(CCCn3cnc4c(N)ncnc43)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NSD3 Q9BZ95 1/20 0.52
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PAK1 Q13153 1/20 0.47
▸ ADCY5 O95622 4/20 0.46
▸ CHKA P35790 1/20 0.45
▸ SLC6A5 Q9Y345 2/20 0.45
▸ CCR3 P51677 1/20 0.45
▸ FGFR1 P11362 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ ADORA2A P29274 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11342542 0.91 ADCY5 (0.50) ADCY5FGFR1ADORA2A
SCHEMBL11476823 0.90 ADCY5 (0.48) PAK1ADCY5FGFR1ADORA2ALMNA
SCHEMBL11347140 0.90 POLB (0.54) NSD3POLBKMT2AADCY5CHKA
SCHEMBL11339731 0.89 ADCY5 (0.48) ADCY5FGFR1ADORA2A
SCHEMBL11340014 0.89 MEN1 (0.48) KMT2AADCY5SLC6A5FGFR1ADORA2A
SCHEMBL11475372 0.89 ADCY5 (0.48) NSD3ADCY5FGFR1DRD4ADORA2A
SCHEMBL11485738 0.89 ADCY5 (0.48) NSD3PAK1ADCY5CCR3FGFR1
SCHEMBL11345878 0.88 ADRA1D (0.54) POLBADCY5ADORA2A
SCHEMBL11348163 0.88 ADCY5 (0.45) ADCY5SLC6A5FGFR1ADORA2A
Hydrochloric Acid SCHEMBL11476615 0.88 MEN1 (0.48) KMT2AADCY5SLC6A5FGFR1ADORA2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003558-B1 9-(3-PIPERIDINOPROPYL)-PURINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-10-21 — — EP disclosed
US-4212866-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1980-07-15 — — US disclosed
EP-0003558-A1 9-(3-Piperidinopropyl)-purine derivatives, processes for their preparation, their use and pharmaceutical compositions containing them Roche Diagnostics GmbH (DE) 1979-08-22 — — EP disclosed
Send feedback