SCHEMBL21592972

SCHEMBL21592972

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4)c3c2)cc(C)c1N1CCN(CCO)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.59
NTRK1 P04629 3/20 0.56
MAP3K11 Q16584 6/20 0.53
KIT P10721 2/20 0.48
MAP3K9 P80192 1/20 0.47
GSK3B P49841 1/20 0.45
TNIK Q9UKE5 1/20 0.45
IL2 P60568 1/20 0.44
CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL21592765 0.92 MAP4K1 (0.66) MAP4K1NTRK1MAP3K11KITTNIK
SCHEMBL21592974 0.89 MAP4K1 (0.56) MAP4K1NTRK1MAP3K11MAP3K9TNIK
SCHEMBL21592914 0.89 MAP4K1 (0.65) MAP4K1NTRK1MAP3K11MAP3K9TNIK
SCHEMBL21592867 0.87 MAP4K1 (0.78) MAP4K1MAP3K11MAP3K9TNIKCAMKK2
SCHEMBL21592896 0.86 MAP4K1 (0.79) MAP4K1NTRK1MAP3K11KITTNIK
SCHEMBL21592955 0.86 MAP4K1 (0.53) MAP4K1NTRK1
SCHEMBL21592774 0.86 MAP4K1 (0.71) MAP4K1NTRK1MAP3K11TNIKIL2
SCHEMBL21592713 0.85 MAP4K1 (0.59) MAP4K1NTRK1MAP3K11KITTNIK
SCHEMBL21592876 0.85 MAP4K1 (0.58) MAP4K1MAP3K11MAP3K9TNIKCAMKK2
SCHEMBL21592651 0.83 MAP4K1 (0.67) MAP4K1NTRK1MAP3K11TNIKIL2

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