SCHEMBL21177314

SCHEMBL21177314

N#Cc1ccncc1O[C@H]1CCN(c2cc(NN)ncn2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.43
▸ CHEK1 O14757 3/20 0.43
▸ CHEK2 O96017 2/20 0.43
▸ KDR P35968 3/20 0.43
▸ DCK P27707 2/20 0.41
▸ GPR6 P46095 2/20 0.40
▸ IKBKE Q14164 2/20 0.40
▸ TBK1 Q9UHD2 2/20 0.40
▸ RET P07949 1/20 0.38
▸ PDE3B Q13370 3/20 0.36
▸ PDE3A Q14432 3/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CHRM4 P08173 1/20 0.35

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
SCHEMBL21191758 1.00 PDE10A (0.43) PDE10ACHEK1CHEK2KDRDCK
Hydrochloric Acid SCHEMBL21177938 0.99 PDE10A (0.42) PDE10ACHEK1CHEK2KDRDCK
SCHEMBL21191757 0.89 PDE10A (0.44) PDE10ACHEK1CHEK2KDRDCK
SCHEMBL21177943 0.85 PDE10A (0.40) PDE10ACHEK1CHEK2KDRDCK
SCHEMBL21177698 0.81 GPR119 (0.40) PDE10AGPR6IKBKETBK1RET
SCHEMBL21191756 0.80 PDE10A (0.42) PDE10ADCKGPR6RETPDE3B
SCHEMBL21177705 0.80 PDE10A (0.42) PDE10ADCKGPR6RETPDE3B
SCHEMBL21179336 0.78 PDE10A (0.41) PDE10ADCKGPR6RETPDE3B
SCHEMBL21191943 0.78 PDE10A (0.41) PDE10ADCKGPR6RETPDE3B
SCHEMBL21191891 0.78 PDE10A (0.38) PDE10ADCKGPR6RETCHRM4

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-2019141957-A1 N-PYRIMIDINYL HYDROXY PYRAZOLE DERIVATIVES AND USES THEREOF CADO BIOTECHNOLOGY IVS (DK) 2019-07-25 — — WO disclosed
Send feedback