SCHEMBL10061589

SCHEMBL10061589

O=C(c1cccc(CNc2ncnc3ccccc23)c1)N1CCN(c2ncc(Cc3ccccc3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.54
PDGFRA P16234 1/20 0.54
FLT3 P36888 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.49
PARP1 P09874 2/20 0.49
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
EGFR P00533 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK10 P53779 6/20 0.47
MAPK8 P45983 4/20 0.47
SLC6A7 Q99884 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE5A O76074 1/20 0.45

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
SCHEMBL713528 0.91 KIT (0.56) KITPDGFRAFLT3GALR3NR2F2
SCHEMBL711881 0.88 KIT (0.54) KITPDGFRAFLT3PARP1SLC6A7
SCHEMBL10029631 0.86 PARP1 (0.51) LOXL2PARP1MAPK10MAPK8SLC6A7
SCHEMBL713524 0.83 KIT (0.57) KITPDGFRAFLT3EGFRRAB9A
SCHEMBL713649 0.81 SLC6A7 (0.52) GALR3NR2F2EGFRRAB9AMAPK10
SCHEMBL713670 0.79 SLC6A7 (0.54) MAPK10MAPK8SLC6A7LMNATSHR
SCHEMBL714936 0.78 MAPT (0.57) EGFRRAB9ASLC6A7LMNAMAPK1
SCHEMBL713933 0.78 MEN1 (0.55) SLC6A7LMNAMAPK1HTTSMN1; SMN2
SCHEMBL3640288 0.74 PDE5A (0.68) RAB9AMAPK10SLC6A7LMNAMAPK1
SCHEMBL715211 0.73 RAB9A (0.55) KITPDGFRAFLT3EGFRRAB9A

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-2012027495-A1 PIPERAZINYLPYRIMIDINE ANALOGUES AS PROTEIN KINASE INHIBITORS UNIVERSITY OF THE PACIFIC (US) 2012-03-01 WO disclosed