SCHEMBL21592929

SCHEMBL21592929

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N6CC7(COC7)C6)cc5)c4c3)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.52
IGF1R P08069 2/20 0.51
MAP4K1 Q92918 5/20 0.47
TNIK Q9UKE5 4/20 0.47
NTRK1 P04629 2/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
IL2 P60568 3/20 0.42
SGK1 O00141 1/20 0.42

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
SCHEMBL21592568 0.92 MAP4K1 (0.56) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL21592861 0.91 MAP3K11 (0.52) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL21592787 0.90 IGF1R (0.51) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL21592692 0.89 MAP4K1 (0.53) MAP3K11MAP4K1TNIKIL2
SCHEMBL21592453 0.89 TNIK (0.53) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL21592927 0.89 MAP3K11 (0.57) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL21592994 0.88 MAP3K11 (0.48) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL21592826 0.87 TNIK (0.51) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL21592992 0.86 MAP3K11 (0.49) MAP3K11IGF1RMAP4K1TNIKNTRK1
SCHEMBL24723493 0.86 MAP4K1 (0.63) MAP3K11IGF1RMAP4K1TNIKNTRK1

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed