SCHEMBL29626702

SCHEMBL29626702

O=Cc1ccnc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ TGFBR1 P36897 7/20 0.34
▸ HTT P42858 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TRIM24 O15164 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C8 P10632 2/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ IDO1 P14902 1/20 0.31

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
SCHEMBL2628883 0.72 CCR1 (0.42) CCR1CCR5CCR8LMNATRIM24
SCHEMBL2596969 0.71 NCF1 (0.41) TGFBR1HTTPTK2CYP3A4CYP2C8
SCHEMBL3465347 0.71 NOS1 (0.47) TGFBR1HTTPTK2BRAFCYP3A4
SCHEMBL2598373 0.71 MAPKAPK2 (0.38) TGFBR1HTTPTK2CYP3A4CYP2C8
SCHEMBL3466097 0.71 HTT (0.41) TGFBR1HTTPTK2RAF1BRAF
SCHEMBL29514304 0.71 NOS1 (0.47) TGFBR1HTTPTK2CYP3A4CYP2C8
SCHEMBL2598398 0.71 NOS1 (0.47) TGFBR1HTTPTK2CYP3A4CYP2C8
SCHEMBL19152664 0.71 HTT (0.45) CCR1CCR5CCR8TGFBR1HTT
SCHEMBL15532523 0.70 CCR1 (0.50) CCR1CCR5CCR8RAF1BRAF
SCHEMBL29935797 0.70 CCR1 (0.50) CCR1CCR5CCR8RAF1BRAF

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 — — EP disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 — — CN disclosed
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