SCHEMBL21592956

SCHEMBL21592956

Cc1cc(-c2cnc3[nH]cc(-c4ccc(OCCN)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.60
MAP3K11 Q16584 4/20 0.54
IL2 P60568 3/20 0.50
TNIK Q9UKE5 6/20 0.49
KIT P10721 1/20 0.46
DYRK1A Q13627 1/20 0.46
NTRK1 P04629 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
ABL1 P00519 1/20 0.45
INSR P06213 1/20 0.45
CDK2 P24941 1/20 0.45
FLT3 P36888 1/20 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
SCHEMBL21592898 0.90 MAP4K1 (0.59) MAP4K1MAP3K11IL2TNIKKIT
SCHEMBL21592600 0.88 MAP3K11 (0.66) MAP4K1MAP3K11IL2TNIKKIT
SCHEMBL21592643 0.87 MAP4K1 (0.66) MAP4K1MAP3K11IL2TNIKDYRK1A
Hydrochloric Acid SCHEMBL28507578 0.86 MAP4K1 (0.65) MAP4K1MAP3K11IL2TNIKDYRK1A
SCHEMBL21592832 0.86 MAP3K11 (0.54) MAP4K1MAP3K11IL2TNIKNTRK1
SCHEMBL21592846 0.85 MAP3K11 (0.53) MAP4K1MAP3K11IL2TNIKNTRK1
SCHEMBL28507390 0.84 MAP4K1 (0.55) MAP4K1MAP3K11IL2TNIK
SCHEMBL28504384 0.83 MAP4K1 (0.66) MAP4K1MAP3K11IL2TNIKNTRK1
SCHEMBL21592561 0.83 MAP4K1 (0.65) MAP4K1MAP3K11IL2TNIKDYRK1A
SCHEMBL28511448 0.81 MAP4K1 (0.63) MAP4K1MAP3K11IL2TNIK

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