SCHEMBL21592565

SCHEMBL21592565

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.59
MAP3K11 Q16584 5/20 0.57
NTRK1 P04629 2/20 0.56
TNIK Q9UKE5 2/20 0.52
KIT P10721 1/20 0.52
IGF1R P08069 2/20 0.48
WDR5 P61964 3/20 0.48
KMT2A Q03164 3/20 0.48
IL2 P60568 3/20 0.47

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
SCHEMBL21592935 0.95 MAP4K1 (0.58) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21592725 0.92 MAP4K1 (0.57) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21592927 0.91 MAP3K11 (0.57) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21592765 0.91 MAP4K1 (0.66) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21592855 0.90 MAP3K11 (0.56) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21593022 0.90 MAP4K1 (0.61) MAP4K1MAP3K11TNIKIGF1RIL2
SCHEMBL21592455 0.90 TNIK (0.57) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21592687 0.90 KIT (0.62) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21592572 0.89 MAP3K11 (0.64) MAP4K1MAP3K11NTRK1TNIKKIT
SCHEMBL21592783 0.89 MAP3K11 (0.55) MAP4K1MAP3K11NTRK1TNIKKIT

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