SCHEMBL30455553

SCHEMBL30455553

CC(Nc1cccc2c1[nH]c1ccc(-c3ccc4c(c3)CCNC4=O)cc12)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP11 Q9NR21 8/20 0.53
PARP10 Q53GL7 7/20 0.53
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
GRM5 P41594 2/20 0.38
SYK P43405 1/20 0.38
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
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 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
SCHEMBL25248465 1.00 PARP11 (0.53) PARP11PARP10PIM1PIM2GRM5
SCHEMBL25245298 0.93 PARP10 (0.42) PARP11PARP10PIM1PIM2TUBB4A
SCHEMBL30455485 0.93 PARP10 (0.42) PARP11PARP10PIM1PIM2TUBB4A
SCHEMBL30455449 0.91 TARS1 (0.42) PARP11PARP10PIM1PIM2GRM5
SCHEMBL25253418 0.91 TARS1 (0.42) PARP11PARP10PIM1PIM2GRM5
SCHEMBL25246903 0.85 CLK4 (0.51) PIM1PIM2GSK3BEGFR
SCHEMBL30455490 0.85 CLK4 (0.51) PIM1PIM2GSK3BEGFR
SCHEMBL25246086 0.81 OPRD1 (0.41) EGFROPRD1
SCHEMBL30455408 0.81 OPRD1 (0.41) EGFROPRD1
SCHEMBL25784742 0.80 PARP11 (0.53) PARP11PARP10GRM5TUBB4ATUBB

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