SCHEMBL27475432

SCHEMBL27475432

Cc1cc(N2CCC=C(c3ccccc3)C2)nc(Nc2ccc(C(C)C)c(Br)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.39
IGF1R P08069 1/20 0.37
HTT P42858 3/20 0.36
TSHR P16473 3/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
PIK3CB P42338 1/20 0.36
CRHR2 Q13324 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 4/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL27472886 0.86 SLC2A1 (0.40) SLC2A1IGF1RHTTTSHRPKM
Hydrochloric Acid SCHEMBL27546093 0.77 CRHR1 (0.45)
SCHEMBL6980587 0.71 LMNA (0.44) HTTTSHRPKMCRHBPPIK3CB
SCHEMBL6981234 0.68 CRHR1 (0.40) SLC2A1HTTTSHRPKMCRHBP
Hydrochloric Acid SCHEMBL6985578 0.68 CRHR1 (0.67)
Hydrochloric Acid SCHEMBL27475047 0.64 CRHR1 (0.46) MAPTKDM4E
SCHEMBL6998839 0.63 GRIN2D (0.55) SLC2A1MAPTMAPK1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6996304 0.62 GRIN2D (0.54) SLC2A1MAPTMAPK1ALDH1A1MEN1
SCHEMBL12485985 0.61 MAPT (0.47) SLC2A1IGF1RHTTTSHRMAPT
SCHEMBL16244801 0.60 SLC2A1 (0.64) SLC2A1HTTTSHRMAPTMAPK1

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
CN-1142931-C 4-tetrahydropyridylpyrimidine derivatives ������ҩ��ʽ���� 2004-03-24 CN disclosed
CN-1257491-A 4-tetrahydropyridylpyrimidine derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2000-06-21 CN disclosed