SCHEMBL29564487

SCHEMBL29564487

Cc1cnc(-c2ccc3ncnc(NCc4nc(C(F)(F)F)no4)c3n2)s1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.36
LMNA P02545 4/20 0.34
SRC P12931 2/20 0.32
ZAP70 P43403 2/20 0.32
SYK P43405 2/20 0.32
CDK2 P24941 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
SCHEMBL24674487 0.76 LMNA (0.40) LMNA
SCHEMBL22714752 0.75 PDE5A (0.36) LMNA
SCHEMBL22714228 0.75 MAP4K4 (0.38) MAP4K4SRCZAP70SYKCDK2
SCHEMBL24674519 0.74 MAP4K4 (0.40) MAP4K4
SCHEMBL29564025 0.69 MAP4K4 (0.39) MAP4K4LMNASRCZAP70SYK
SCHEMBL22726096 0.68 MAP4K4 (0.40) MAP4K4LMNA
SCHEMBL22714286 0.67 LMNA (0.38) LMNA
SCHEMBL29564279 0.67 LMNA (0.38) LMNA
SCHEMBL22715145 0.66 LMNA (0.38) LMNA
SCHEMBL24469148 0.65 P2RX3 (0.38)

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-3976609-A1 PYRIDOPYRIMIDINES DERIVATIVES AS P2X3 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2022-04-06 EP claimed