SCHEMBL22979377

SCHEMBL22979377

CCn1cc(C(=O)NN)c(C)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
P2RX7 Q99572 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
KLKB1 P03952 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL22976065 0.82 ALDH1A1 (0.51) NAMPTKDM4EALDH1A1NPC1LMNA
SCHEMBL952140 0.82 L3MBTL1 (0.50) NAMPTKDM4EALDH1A1NPC1LMNA
SCHEMBL22987577 0.80 GAA (0.59) NAMPTKDM4EALDH1A1NPC1P2RX7
SCHEMBL954236 0.80 L3MBTL1 (0.56) NAMPTKDM4EALDH1A1NPC1LMNA
SCHEMBL334433 0.80 NAMPT (0.54) NAMPTKDM4EALDH1A1NPC1LMNA
SCHEMBL841237 0.79 ALDH1A1 (0.51) NAMPTKDM4EALDH1A1NPC1LMNA
Hydrochloric Acid SCHEMBL29450056 0.79 GAA (0.58) NAMPTKDM4EALDH1A1NPC1P2RX7
SCHEMBL23273647 0.76 L3MBTL1 (0.47) NAMPTKDM4EALDH1A1NPC1LMNA
SCHEMBL952167 0.75 SMN1; SMN2 (0.45) NAMPTKDM4EALDH1A1NPC1LMNA
SCHEMBL22979652 0.75 P2RX7 (0.42) NAMPTKDM4EALDH1A1NPC1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 WO disclosed