SCHEMBL30971052

SCHEMBL30971052

COc1ccc(C)c(-c2cc(C#N)nc3cnn(C)c23)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 4/20 0.36
▸ TUBB P07437 4/20 0.36
▸ TUBA3C P0DPH7 4/20 0.36
▸ TUBA1B P68363 4/20 0.36
▸ TUBA4A P68366 4/20 0.36
▸ TUBB4B P68371 4/20 0.36
▸ TUBB3 Q13509 4/20 0.36
▸ TUBB2A Q13885 4/20 0.36
▸ TUBB8 Q3ZCM7 4/20 0.36
▸ TUBA3E Q6PEY2 4/20 0.36
▸ TUBA1A Q71U36 4/20 0.36
▸ TUBA1C Q9BQE3 4/20 0.36
▸ TUBB6 Q9BUF5 4/20 0.36
▸ TUBB2B Q9BVA1 4/20 0.36
▸ TUBB1 Q9H4B7 4/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.32

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
SCHEMBL30971116 0.82 PRMT5 (0.36) PRMT5WDR77PDE10AKDM4EHPGD
SCHEMBL30971182 0.79 GRM2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30971088 0.76 ADORA3 (0.41) PDE10ANQO1KDM4EHPGDALDH1A1
SCHEMBL30971174 0.75 PRKCQ (0.36) KDM4EHPGDALDH1A1DYRK1AHSD17B10
SCHEMBL30971218 0.75 KDM4E (0.41) KDM4EHPGDALDH1A1DYRK1AHSD17B10
SCHEMBL30971210 0.74 DYRK1A (0.36) PRMT5WDR77KDM4EHPGDALDH1A1
SCHEMBL30971260 0.71 LMNA (0.38) KDM4EHPGDHSD17B10GAAHTT
SCHEMBL30971255 0.71 AR (0.38) KDM4E
SCHEMBL30971205 0.70 KDM4E (0.35) KDM4EHPGDALDH1A1DYRK1AHSD17B10
SCHEMBL19268050 0.67 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 — — EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 — — WO disclosed
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