SCHEMBL30854787

SCHEMBL30854787

C=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 5/20 0.74
MAP2K1 Q02750 4/20 0.74
BTK Q06187 4/20 0.74
JAK3 P52333 7/20 0.71
EGFR P00533 5/20 0.71
JAK2 O60674 1/20 0.71
BLK P51451 1/20 0.71
BMX P51813 1/20 0.71
SRC P12931 3/20 0.66
MAPK1 P28482 2/20 0.66
FGFR1 P11362 1/20 0.66
FLT3 P36888 2/20 0.61

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
SCHEMBL93523 1.00 MAP3K7 (0.74) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL29352639 1.00 MAP3K7 (0.74) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL10127876 0.88 JAK3 (0.80) BTKJAK3EGFRJAK2BLK
SCHEMBL28980968 0.87 BTK (0.80) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL31684778 0.87 BTK (0.80) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL22604799 0.85 BTK (0.62) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL10127962 0.85 BTK (1.00) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL22604617 0.85 EGFR (0.59) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL14914404 0.84 EGFR (0.70) MAP3K7MAP2K1BTKJAK3EGFR
SCHEMBL28980965 0.83 MAP3K7 (0.81) MAP3K7MAP2K1BTKJAK3EGFR

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-4330224-A1 PCNA INHIBITORS AND EGFR INHIBITORS FOR CANCER TREATMENT City of Hope (US) 2024-03-06 EP disclosed