SCHEMBL9833133

SCHEMBL9833133

c1ccc2c(c1)cnn2N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
CYP1A2 P05177 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KMO O15229 1/20 0.36
POLB P06746 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
P2RX7 Q99572 1/20 0.34
LRRK2 Q5S007 1/20 0.34
HSD17B10 Q99714 3/20 0.33
TSHR P16473 3/20 0.33
GRM5 P41594 2/20 0.33
GRM1 Q13255 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10500232 0.98 RECQL (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL29521056 0.98 RECQL (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL5215315 0.94 RECQL (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL29521086 0.82 HTR2C (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL29520731 0.82 RECQL (0.38) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL8470553 0.82 HTR2C (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL29520805 0.82 LRRK2 (0.47) RECQLPOLBNPSR1LRRK2TSHR
Hydrochloric Acid SCHEMBL10583863 0.81 ADRA2A (0.41) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL4788217 0.78 ADRA2A (0.38) RECQLCYP1A2ADRA2AADRA2BADRA2C
SCHEMBL14911964 0.76 NPC1 (0.44) POLBALDH1A1HPGDHSD17B10GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458982-A Indazole compounds as irak4 inhibitors 奥列基因发现技术有限公司 2017-02-22 CN disclosed
EP-3092226-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-16 EP disclosed
WO-2015104662-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 WO disclosed
EP-0192935-B1 3-(PIPERIDINYL)-1H-INDAZOLES A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-02-27 EP disclosed
EP-0192935-A1 3-(piperidinyl)-1H-indazoles a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-09-03 EP disclosed