SCHEMBL21593005

SCHEMBL21593005

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC[C@](C)(O)C5)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.56
MAP3K11 Q16584 5/20 0.53
TNIK Q9UKE5 4/20 0.48
DYRK1A Q13627 1/20 0.46
WDR5 P61964 1/20 0.45
KMT2A Q03164 1/20 0.45
IGF1R P08069 1/20 0.45
IL2 P60568 3/20 0.43
CAMKK2 Q96RR4 1/20 0.43
SGK1 O00141 1/20 0.42

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
SCHEMBL21593059 1.00 MAP4K1 (0.56) MAP4K1MAP3K11TNIKDYRK1AWDR5
SCHEMBL21593008 1.00 MAP4K1 (0.56) MAP4K1MAP3K11TNIKDYRK1AWDR5
SCHEMBL21593022 0.87 MAP4K1 (0.61) MAP4K1MAP3K11TNIKDYRK1AIGF1R
SCHEMBL21592568 0.86 MAP4K1 (0.56) MAP4K1MAP3K11TNIKDYRK1AIGF1R
SCHEMBL21592565 0.85 MAP4K1 (0.59) MAP4K1MAP3K11TNIKWDR5KMT2A
SCHEMBL21593012 0.85 MAP4K1 (0.54) MAP4K1MAP3K11TNIKDYRK1AIGF1R
SCHEMBL21592935 0.84 MAP4K1 (0.58) MAP4K1MAP3K11TNIKDYRK1AWDR5
SCHEMBL28502252 0.84 MAP4K1 (0.65) MAP4K1MAP3K11TNIKIL2CAMKK2
SCHEMBL21592938 0.83 MAP4K1 (0.63) MAP4K1MAP3K11TNIKDYRK1AWDR5
SCHEMBL21593032 0.83 MAP4K1 (0.63) MAP4K1MAP3K11TNIKDYRK1AWDR5

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