SCHEMBL14391753

SCHEMBL14391753

O=C(N[C@@H]1CCC[C@H]1O)c1cccc2cn[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 1/20 0.51
▸ CDK5 Q00535 2/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ AURKA O14965 1/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ RET P07949 1/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ LTK P29376 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ MAP2K2 P36507 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ CSNK1A1 P48729 1/20 0.50
▸ PRKX P51817 1/20 0.50
▸ MAP2K1 Q02750 1/20 0.50
▸ MST1R Q04912 1/20 0.50
▸ PTK2 Q05397 1/20 0.50

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
SCHEMBL14614929 0.81 PTGES (0.59) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL261542 0.78 HTR3A (0.55) KCNH2
SCHEMBL261350 0.78 HTR3A (0.55) KCNH2
SCHEMBL261358 0.78 HTR3A (0.55) KCNH2
SCHEMBL28917070 0.78 CDK2 (0.56) CDK5PLK4CHEK1AURKADAPK3
Hydrochloric Acid SCHEMBL261622 0.77 HTR3A (0.54) KCNH2
Hydrochloric Acid SCHEMBL261195 0.77 HTR3A (0.54) KCNH2
Hydrochloric Acid SCHEMBL261061 0.77 HTR3A (0.54) KCNH2
SCHEMBL23185459 0.76 PLK4 (0.50) CDK5PLK4CHEK1AURKADAPK3
SCHEMBL8359202 0.74 PARP1 (0.48) CDK5PLK4CHEK1AURKADAPK3

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-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 — — WO disclosed
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