SCHEMBL31728069

SCHEMBL31728069

Nc1ncnc2c(-c3ccc(F)c(Cl)c3F)cc(Cl)nc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 6/20 0.39
▸ MAP4K4 O95819 11/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ MINK1 Q8N4C8 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32

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
SCHEMBL31728431 0.79 MAP4K4 (0.34) CLK1MAP4K4MAPK1
SCHEMBL31729167 0.79 MAP4K4 (0.34) CLK1MAP4K4MAPK1
SCHEMBL31728018 0.79 CLK1 (0.36) CLK1MAP4K4MAPK1PI4KB
SCHEMBL31728332 0.79 CLK1 (0.38) CLK1MAP4K4
SCHEMBL31728133 0.79 CLK1 (0.36) CLK1MAP4K4PI4KB
SCHEMBL31728591 0.76 EIF2AK3 (0.39) CLK1MAP4K4PI4KB
SCHEMBL31729163 0.75 CLK1 (0.37) CLK1MAP4K4MINK1PI4KB
SCHEMBL22715627 0.74 ADORA2A (0.37) CLK1MAP4K4PI4KAPI4K2BPI4K2A
SCHEMBL29439817 0.74 ADORA2A (0.37) CLK1MAP4K4PI4KAPI4K2BPI4K2A
SCHEMBL31728618 0.73 CLK1 (0.36) CLK1PI4KB

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-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
Send feedback