SCHEMBL2875493

SCHEMBL2875493

CCCn1ncc2c(NCc3ccccc3C)nc(-c3cccc(S(=O)(=O)Nc4ccccc4)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.46
▸ RET P07949 5/20 0.46
▸ ALDH1A1 P00352 6/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ TSHR P16473 6/20 0.41
▸ USP2 O75604 6/20 0.41
▸ CYP1A2 P05177 6/20 0.41
▸ CYP3A4 P08684 6/20 0.41
▸ CYP2D6 P10635 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CLK4 Q9HAZ1 3/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2832269 0.69 PIK3CA (0.46) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL2879632 0.69 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ATSHRUSP2
SCHEMBL2856614 0.69 PDE5A (0.55) ALDH1A1MEN1KMT2ATSHRTP53
SCHEMBL3185882 0.64 KDM4C (0.47) ALDH1A1KDM4E
SCHEMBL13943301 0.62 TP53 (0.66) MEN1KMT2ATP53MAPT
SCHEMBL23579582 0.61 BCDIN3D (0.57) MEN1KMT2ATP53LMNAMAPT
SCHEMBL30034104 0.61 BCDIN3D (0.57) MEN1KMT2ATP53LMNAMAPT
SCHEMBL13943257 0.61 TP53 (0.66) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL8762131 0.61 PFKFB3 (0.72) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL2871542 0.61 PDE5A (0.51) ALDH1A1TSHRUSP2CYP1A2CYP3A4

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
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
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