SCHEMBL28817288

SCHEMBL28817288

N#Cc1ccc2c(-c3cc(Cl)ccc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.39
▸ SLC22A12 Q96S37 3/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ F11 P03951 2/20 0.35
▸ CCNT1 O60563 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ DYRK1A Q13627 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CRHBP P24387 1/20 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
SCHEMBL30006772 1.00 AR (0.39) ARSLC22A12IDH1F11CCNT1
SCHEMBL22076269 0.76 CCNK (0.48) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29498456 0.73 CCNK (0.43) SLC22A12CCNT1CCNKCCNE1CDK2
SCHEMBL3907077 0.70 AR (0.54) ARSLC22A12KDM4EMEN1ALDH1A1
SCHEMBL16115890 0.69 IDH1 (0.44) ARSLC22A12IDH1F11KDM4E
SCHEMBL950544 0.67 AR (0.68) ARSLC22A12
SCHEMBL26696831 0.66 RPS6KA5 (0.38) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL30716225 0.66 RPS6KA5 (0.38) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL21179174 0.64 CCNK (0.49) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL20846199 0.63 HTR6 (0.45) CCNT1CCNKCCNE1CDK2CDK9

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
CN-114907407-A Inhibitors of cyclin dependent kinase 7(CDK7) 江苏先声药业有限公司 2022-08-16 — — CN disclosed
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