SCHEMBL21592855

SCHEMBL21592855

CNc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.56
NTRK1 P04629 2/20 0.55
WDR5 P61964 4/20 0.53
KMT2A Q03164 3/20 0.53
TNIK Q9UKE5 3/20 0.51
KIT P10721 1/20 0.51
MAP4K1 Q92918 3/20 0.49
IGF1R P08069 2/20 0.49
IL2 P60568 1/20 0.46

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
SCHEMBL21592565 0.90 MAP4K1 (0.59) MAP3K11NTRK1WDR5KMT2ATNIK
SCHEMBL21592861 0.90 MAP3K11 (0.52) MAP3K11NTRK1WDR5KMT2ATNIK
SCHEMBL21592927 0.89 MAP3K11 (0.57) MAP3K11NTRK1WDR5KMT2ATNIK
SCHEMBL21592455 0.88 TNIK (0.57) MAP3K11NTRK1WDR5KMT2ATNIK
SCHEMBL21592687 0.88 KIT (0.62) MAP3K11NTRK1TNIKKITMAP4K1
SCHEMBL21592572 0.87 MAP3K11 (0.64) MAP3K11NTRK1TNIKKITMAP4K1
SCHEMBL21592783 0.87 MAP3K11 (0.55) MAP3K11NTRK1WDR5KMT2ATNIK
SCHEMBL21592935 0.85 MAP4K1 (0.58) MAP3K11NTRK1WDR5KMT2ATNIK
SCHEMBL21592670 0.85 MAP4K1 (0.59) MAP3K11WDR5KMT2ATNIKMAP4K1
SCHEMBL21592765 0.84 MAP4K1 (0.66) MAP3K11NTRK1TNIKKITMAP4K1

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