SCHEMBL30455485

SCHEMBL30455485

CC(Nc1cccc2c1[nH]c1ccc(-c3ccc4c(c3)C(=O)NCC4)cc12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.42
PARP11 Q9NR21 6/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
TYRO3 Q06418 1/20 0.39
NTRK2 Q16620 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL25245298 1.00 PARP10 (0.42) PARP10PARP11PIM1PIM2TYRO3
SCHEMBL25248465 0.93 PARP11 (0.53) PARP10PARP11PIM1PIM2TUBB4A
SCHEMBL30455553 0.93 PARP11 (0.53) PARP10PARP11PIM1PIM2TUBB4A
SCHEMBL30455490 0.91 CLK4 (0.51) PIM1PIM2TYRO3NTRK2CLK4
SCHEMBL25246903 0.91 CLK4 (0.51) PIM1PIM2TYRO3NTRK2CLK4
SCHEMBL25253418 0.85 TARS1 (0.42) PARP10PARP11PIM1PIM2TYRO3
SCHEMBL30455449 0.85 TARS1 (0.42) PARP10PARP11PIM1PIM2TYRO3
SCHEMBL25249612 0.81 SDCBP (0.41) EGFR
SCHEMBL30455455 0.81 SDCBP (0.41) EGFR
SCHEMBL25784763 0.80 PARP10 (0.42) PARP10PARP11TYRO3NTRK2CLK4

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
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO claimed
WO-2023121238-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME (주)메디픽 2023-06-29 WO disclosed