SCHEMBL28510967

SCHEMBL28510967

CN1CCN(c2ccc(-c3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
POLB P06746 1/20 0.46
INSR P06213 2/20 0.46
CDK2 P24941 2/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
ABL1 P00519 1/20 0.46
FLT3 P36888 1/20 0.46
MAP3K11 Q16584 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
EGFR P00533 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
RIPK1 Q13546 1/20 0.43
PLK4 O00444 1/20 0.42
DCLK1 O15075 1/20 0.42
ROCK2 O75116 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
SCHEMBL28506118 0.82 DYRK1A (0.51) DYRK1AINSRCDK2IKBKBCHUK
SCHEMBL21590277 0.81 MAP4K1 (0.46) DYRK1APOLBSMN1; SMN2LMNAPKM
SCHEMBL21590316 0.81 DYRK1A (0.49) DYRK1AINSRCDK2IKBKBCHUK
SCHEMBL28502220 0.80 DYRK1A (0.54) DYRK1AINSRCDK2IKBKBCHUK
SCHEMBL28502428 0.80 RIPK1 (0.54) DYRK1AINSRCDK2IKBKBCHUK
SCHEMBL28504554 0.80 BRD4 (0.58) DYRK1AINSRCDK2IKBKBCHUK
SCHEMBL28905250 0.79 DYRK1A (0.48) DYRK1AINSRCDK2IKBKBCHUK
SCHEMBL858396 0.79 RIPK1 (0.51) DYRK1AINSRCDK2ABL1FLT3
SCHEMBL28499630 0.77 FLT3 (0.56) DYRK1AINSRCDK2IKBKBCHUK
SCHEMBL21590171 0.76 RIPK1 (0.50) DYRK1AINSRCDK2IKBKBCHUK

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
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