SCHEMBL29888546

SCHEMBL29888546

CCC1(C(=O)NNC(=O)c2cccnc2Nc2ccc(C(F)(F)F)cc2)CCNC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40

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
SCHEMBL23388897 1.00 KDR (0.44) KDRLMNAPOLBTUBB4ATUBB
SCHEMBL23389045 0.95 LMNA (0.43) KDRLMNAPOLBTUBB4ATUBB
SCHEMBL29888559 0.95 LMNA (0.43) KDRLMNAPOLBTUBB4ATUBB
SCHEMBL29888533 0.88 MEN1 (0.38) KDRLMNAPOLBMEN1KMT2A
SCHEMBL23388898 0.88 MEN1 (0.38) KDRLMNAPOLBMEN1KMT2A
SCHEMBL23423434 0.86 LMNA (0.46) KDRLMNAPOLBTUBB4ATUBB
SCHEMBL23388870 0.84 LMNA (0.42) KDRLMNAPOLBTUBB4ATUBB
SCHEMBL23423242 0.83 LMNA (0.45) KDRLMNAPOLBTUBB4ATUBB
SCHEMBL23388888 0.83 MEN1 (0.37) KDRLMNAPOLBMEN1KMT2A
SCHEMBL23389117 0.83 POLB (0.41) KDRLMNAPOLBTUBB4ATUBB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279368-B Heteroaryl compounds 维瓦斯治疗公司 2024-05-24 — — CN disclosed
CN-115279368-A Heteroaryl compounds 维瓦斯治疗公司 2022-11-01 — — CN disclosed
EP-4061364-A1 HETEROARYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2022-09-28 — — EP disclosed
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