SCHEMBL29364271

SCHEMBL29364271

Cc1cccc(-c2c[nH]c3cc(C#N)ccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.48
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47
▸ TUBB1 Q9H4B7 1/20 0.47
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CCNT1 O60563 2/20 0.43
▸ CCNK O75909 2/20 0.43

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
SCHEMBL25029293 1.00 MAP3K14 (0.48) MAP3K14TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25029226 0.90 MAP3K14 (0.60) MAP3K14TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29363585 0.90 MAP3K14 (0.60) MAP3K14TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21083356 0.75 TGFBR1 (0.52) TGFBR1LMNACCR1CCR8
SCHEMBL29364022 0.74 DYRK1A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25029179 0.74 DYRK1A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26715904 0.73 BRD4 (0.44) CDK9TGFBR1LRRK2PIM1CCR1
SCHEMBL3266995 0.72 IDO1 (0.51) ADORA2ACCR1CCR8
SCHEMBL12377872 0.72 SLC6A4 (0.48) MEN1KMT2AGUSBSLC6A4
SCHEMBL21083355 0.71 EGLN2 (0.49) TGFBR1CCR1CCR8

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-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 — — WO disclosed
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