SCHEMBL30569151

SCHEMBL30569151

Cc1ccc2c(=O)[nH]nc(Cc3ccc(F)c(-c4ccc(N)c(N)c4)c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.48
PARP2 Q9UGN5 2/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TPI1 P60174 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
PRMT5 O14744 5/20 0.44
WDR77 Q9BQA1 5/20 0.44

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
SCHEMBL19748529 1.00 PARP1 (0.48) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL19747811 0.97 PARP1 (0.47) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL29655193 0.97 PARP1 (0.47) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL30089632 0.90 PARP1 (0.47) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL19747809 0.90 PARP1 (0.47) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL30089688 0.89 LMNA (0.48) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL19748582 0.89 LMNA (0.48) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL30089685 0.89 PARP1 (0.45) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL19747458 0.89 PARP1 (0.45) PARP1PARP2TUBB4ATUBBTUBA3C
SCHEMBL29655020 0.89 PARP1 (0.54) PARP1PARP2TUBB4ATUBBTUBA3C

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
EP-3475272-B1 PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-09-13 EP disclosed