SCHEMBL21592882

SCHEMBL21592882

CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N6CC(N(C)C)C6)cc5)c4c3)cc2OC(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.62
MAP3K11 Q16584 6/20 0.49
IGF1R P08069 2/20 0.48
IL2 P60568 3/20 0.45
TNIK Q9UKE5 3/20 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
SCHEMBL21592726 0.91 MAP4K1 (0.65) MAP4K1MAP3K11IGF1RIL2TNIK
SCHEMBL21592811 0.90 MAP4K1 (0.65) MAP4K1MAP3K11IGF1RIL2TNIK
SCHEMBL21592782 0.88 MAP4K1 (0.66) MAP4K1MAP3K11IGF1RIL2TNIK
SCHEMBL21592989 0.88 KIT (0.53) MAP4K1MAP3K11IGF1RIL2TNIK
SCHEMBL21592763 0.87 MAP4K1 (0.55) MAP4K1MAP3K11IGF1RIL2TNIK
SCHEMBL21592790 0.87 MAP4K1 (0.74) MAP4K1MAP3K11IGF1RIL2TNIK
SCHEMBL21592814 0.85 MAP4K1 (0.65) MAP4K1MAP3K11IGF1RTNIK
SCHEMBL21592994 0.85 MAP3K11 (0.48) MAP4K1MAP3K11IGF1RIL2TNIK
SCHEMBL21592588 0.84 MAP4K1 (0.71) MAP4K1MAP3K11IGF1RIL2TNIK
Ammonia Solution, Strong SCHEMBL28502436 0.83 MAP3K11 (0.46) MAP4K1MAP3K11IGF1RIL2TNIK

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