SCHEMBL4720488

SCHEMBL4720488

CCNc1cc(-c2cc(C)cc(-c3cnco3)c2)nn(-c2cc(N3CC[C@H](O)C3)ccc2C(F)(F)F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
SOS1 Q07889 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
TYRO3 Q06418 2/20 0.31
PHGDH O43175 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
SYK P43405 1/20 0.30
JAK3 P52333 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

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
SCHEMBL4720492 1.00 P2RX7 (0.34) P2RX7SOS1PDE3BPDE3ATYRO3
SCHEMBL4721510 0.93 P2RX7 (0.33) P2RX7SOS1PDE3BPDE3APHGDH
SCHEMBL4721515 0.93 P2RX7 (0.33) P2RX7SOS1PDE3BPDE3APHGDH
SCHEMBL4719688 0.93 GHSR (0.31) P2RX7
SCHEMBL4722299 0.92 P2RX7 (0.35) P2RX7SOS1PDE3BPDE3APHGDH
SCHEMBL4722296 0.92 P2RX7 (0.35) P2RX7SOS1PDE3BPDE3APHGDH
SCHEMBL4721936 0.92 SYK (0.31) SYKITGB2ICAM1ITGAL
SCHEMBL4724553 0.91 SYK (0.37) P2RX7SOS1PDE3BPDE3APHGDH
SCHEMBL4724546 0.91 SYK (0.37) P2RX7SOS1PDE3BPDE3APHGDH
SCHEMBL4722487 0.90 P2RX7 (0.38) P2RX7SOS1PDE3BPDE3ATYRO3

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed