SCHEMBL4775378

SCHEMBL4775378

OC1CCC(Nc2cc(-c3cccnc3)nc(-c3ccccn3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 10/20 0.52
TYRO3 Q06418 9/20 0.52
FLT3 P36888 6/20 0.52
GAS6 Q14393 5/20 0.52
CDC7 O00311 5/20 0.50
CHEK1 O14757 1/20 0.50
MAPK13 O15264 1/20 0.50
PDPK1 O15530 1/20 0.50
DAPK3 O43293 1/20 0.50
DYRK3 O43781 1/20 0.50
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKD3 O94806 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 1/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
PRKCG P05129 1/20 0.50
CDK1 P06493 1/20 0.50
FES P07332 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
SCHEMBL4773025 0.87 CYP2A6 (0.47) JAK3LRRK2CYP2A6PIK3CANPC1
SCHEMBL4772988 0.83 CYP2A6 (0.45) EGFRCYP2A6NPC1TP53PKM
SCHEMBL30085793 0.80 CDC7 (0.48) MERTKTYRO3FLT3CDC7CHEK1
SCHEMBL30085671 0.80 CDC7 (0.48) MERTKTYRO3FLT3CDC7CHEK1
SCHEMBL28895048 0.80 CDC7 (0.48) MERTKTYRO3FLT3CDC7CHEK1
SCHEMBL28895052 0.80 CDC7 (0.48) MERTKTYRO3FLT3CDC7CHEK1
SCHEMBL28895160 0.80 CDC7 (0.48) MERTKTYRO3FLT3CDC7CHEK1
SCHEMBL4878463 0.79 SYK (0.47) FLT3CDC7CHEK1MAPK13PDPK1
SCHEMBL4773261 0.79 SYK (0.47) FLT3CDC7CHEK1MAPK13PDPK1
SCHEMBL4775400 0.78 GBA1 (0.53) JAK2JAK3CYP2A6NPC1TP53

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
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 EP disclosed