SCHEMBL21592932

SCHEMBL21592932

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC(O)C5)cc4)c3c2)cc(F)c1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.56
IL2 P60568 4/20 0.55
MAP3K11 Q16584 7/20 0.51
IGF1R P08069 1/20 0.46
TNIK Q9UKE5 1/20 0.46
KIT P10721 2/20 0.45

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
SCHEMBL21592864 0.90 KIT (0.57) MAP4K1IL2MAP3K11IGF1RTNIK
SCHEMBL21592866 0.87 MAP4K1 (0.52) MAP4K1IL2MAP3K11IGF1RTNIK
SCHEMBL21592996 0.86 MAP4K1 (0.58) MAP4K1IL2MAP3K11TNIKKIT
SCHEMBL21592987 0.86 MAP4K1 (0.55) MAP4K1IL2MAP3K11IGF1RTNIK
SCHEMBL21592966 0.86 MAP4K1 (0.73) MAP4K1IL2MAP3K11IGF1RTNIK
SCHEMBL21592789 0.84 KIT (0.60) MAP4K1IL2MAP3K11TNIKKIT
SCHEMBL21592617 0.83 MAP3K11 (0.61) MAP4K1IL2MAP3K11IGF1RTNIK
SCHEMBL21592829 0.82 MAP4K1 (0.56) MAP4K1IL2MAP3K11TNIKKIT
SCHEMBL21592713 0.81 MAP4K1 (0.59) MAP4K1IL2MAP3K11TNIKKIT
SCHEMBL21592716 0.81 MAP4K1 (0.72) MAP4K1IL2MAP3K11IGF1RTNIK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
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