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Sugi Predict / Compounds / SCHEMBL21592864

SCHEMBL21592864

SCHEMBL21592864

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4)c3c2)cc(F)c1N1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 2/20 0.57
▸ MAP4K1 Q92918 10/20 0.55
▸ IL2 P60568 4/20 0.55
▸ NTRK1 P04629 2/20 0.53
▸ MAP3K11 Q16584 4/20 0.53
▸ IGF1R P08069 1/20 0.48
▸ TNIK Q9UKE5 1/20 0.48

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
SCHEMBL21592789 0.95 KIT (0.60) KITMAP4K1IL2NTRK1MAP3K11
SCHEMBL21592713 0.92 MAP4K1 (0.59) KITMAP4K1IL2NTRK1MAP3K11
SCHEMBL21592866 0.90 MAP4K1 (0.52) KITMAP4K1IL2MAP3K11IGF1R
SCHEMBL21592932 0.90 MAP4K1 (0.56) KITMAP4K1IL2MAP3K11IGF1R
SCHEMBL21592687 0.88 KIT (0.62) KITMAP4K1IL2NTRK1MAP3K11
SCHEMBL21592900 0.88 MAP4K1 (0.66) KITMAP4K1IL2NTRK1MAP3K11
SCHEMBL21592996 0.86 MAP4K1 (0.58) KITMAP4K1IL2MAP3K11TNIK
SCHEMBL21592927 0.86 MAP3K11 (0.57) KITMAP4K1IL2NTRK1MAP3K11
SCHEMBL21592765 0.86 MAP4K1 (0.66) KITMAP4K1IL2NTRK1MAP3K11
SCHEMBL21592572 0.84 MAP3K11 (0.64) KITMAP4K1IL2NTRK1MAP3K11

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