SCHEMBL9026653

SCHEMBL9026653

Cc1ccnc(-c2cccc(Br)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR8 P51685 1/20 0.42
GRM5 P41594 4/20 0.42
TGFBR1 P36897 6/20 0.37
MAPK14 Q16539 3/20 0.37
CYP2A6 P11509 1/20 0.35
METAP2 P50579 1/20 0.35
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 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
SCHEMBL14733153 0.86 CCR1 (0.52) CCR1CCR8GRM5TGFBR1MAPK14
SCHEMBL15470589 0.85 CCR1 (0.60) CCR1CCR8GRM5TGFBR1MAPK14
SCHEMBL1555066 0.81 KDM4E (0.43) CCR1CCR8GRM5TGFBR1MAPK14
SCHEMBL29929279 0.81 KDM4E (0.43) CCR1CCR8GRM5TGFBR1MAPK14
SCHEMBL14732986 0.79 TGFBR1 (0.43) CCR1CCR8GRM5TGFBR1METAP2
SCHEMBL8854902 0.77 MEN1 (0.55) CCR1CCR8GRM5TGFBR1CYP2A6
SCHEMBL3419835 0.77 CCR1 (0.73) CCR1CCR8GRM5TGFBR1MAPK14
SCHEMBL7964553 0.76 KDM4E (0.59) CCR1CCR8GRM5KDM4EALDH1A1
SCHEMBL21977980 0.75 IDH1 (0.51) TGFBR1
SCHEMBL10368628 0.73 GRM5 (0.39) CCR1CCR8GRM5TGFBR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0459662-B1 Fungicidal compounds ZENECA LTD (GB) 1996-08-21 EP disclosed
EP-0557291-B1 PYRIDIL-PYRIMIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS ZENECA LTD (GB) 1996-08-14 EP disclosed
EP-0557291-A1 PYRIDIL-PYRIMIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS. ICI PLC (GB) 1993-09-01 EP disclosed
US-5208239-A Plant fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-04 US disclosed
US-5185339-A FUNGICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-09 US disclosed
WO-1992008714-A1 PYRIDIL-PYRIMIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-29 WO disclosed
CN-1058019-A FUNGICIDAL COMPOUNDS ICI PLC (GB) 1992-01-22 CN disclosed
EP-0459662-A1 Fungicidal compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed
US-4927827-A Pyridinylpyrimidine derivatives, method for production thereof and a fungicide containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-05-22 US disclosed