SCHEMBL23630313

SCHEMBL23630313

N#Cc1c(N2CCC(c3ccc(Cl)cc3)CC2)n[nH]c1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 1/20 0.57
▸ PRKACG P22612 1/20 0.57
▸ PRKACB P22694 1/20 0.57
▸ GRM2 Q14416 2/20 0.45
▸ CHIT1 Q13231 2/20 0.44
▸ CHIA Q9BZP6 2/20 0.44
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ DRD2 P14416 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ MAPK13 O15264 2/20 0.36
▸ MAPK12 P53778 2/20 0.36
▸ MAPK11 Q15759 2/20 0.36

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
SCHEMBL23630368 0.85 PRKACA (0.53) PRKACAPRKACGPRKACBGRM2MAPT
SCHEMBL20564864 0.80 ALDH1A1 (0.37) PRKACAPRKACGPRKACBGRM2CHIT1
SCHEMBL23630311 0.78 ALDH1A1 (0.43) PRKACAPRKACGPRKACBGRM2CHIT1
SCHEMBL9933248 0.74 PRKACA (1.00) PRKACAPRKACGPRKACBMAPTKDM4E
SCHEMBL13717673 0.72 PRKACA (0.97) PRKACAPRKACGPRKACBMAPTKDM4E
SCHEMBL1440040 0.70 PRKACA (0.73) PRKACAPRKACGPRKACBMAPTKDM4E
SCHEMBL22324960 0.68 DRD2 (0.45) GRM2CHIT1CHIAMAPTNPSR1
SCHEMBL20565565 0.68 GRM2 (0.45) GRM2MAPTKDM4ENPSR1HPGD
SCHEMBL23635380 0.67 GRM2 (0.44) GRM2MAPTKDM4ENPSR1HPGD
SCHEMBL2017867 0.67 PANK3 (0.57) GRM2DRD2SLC18A3

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
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
Send feedback