SCHEMBL21592989

SCHEMBL21592989

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N6CCOCC6)cc5)c4c3)cc2OC(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.53
MAP3K11 Q16584 5/20 0.53
NTRK1 P04629 2/20 0.51
IGF1R P08069 2/20 0.49
MAP4K1 Q92918 8/20 0.49
IL2 P60568 4/20 0.49
TNIK Q9UKE5 1/20 0.48
WDR5 P61964 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21592687 0.91 KIT (0.62) KITMAP3K11NTRK1MAP4K1IL2
SCHEMBL21592994 0.90 MAP3K11 (0.48) KITMAP3K11NTRK1IGF1RMAP4K1
SCHEMBL21592783 0.89 MAP3K11 (0.55) KITMAP3K11NTRK1IGF1RMAP4K1
SCHEMBL21592882 0.88 MAP4K1 (0.62) MAP3K11IGF1RMAP4K1IL2TNIK
SCHEMBL21592927 0.88 MAP3K11 (0.57) KITMAP3K11NTRK1IGF1RMAP4K1
SCHEMBL21592565 0.87 MAP4K1 (0.59) KITMAP3K11NTRK1IGF1RMAP4K1
SCHEMBL21592763 0.86 MAP4K1 (0.55) MAP3K11IGF1RMAP4K1IL2TNIK
SCHEMBL21592855 0.85 MAP3K11 (0.56) KITMAP3K11NTRK1IGF1RMAP4K1
Ammonia Solution, Strong SCHEMBL28502436 0.85 MAP3K11 (0.46) MAP3K11IGF1RMAP4K1IL2TNIK
SCHEMBL21592455 0.85 TNIK (0.57) KITMAP3K11NTRK1IGF1RMAP4K1

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