SCHEMBL13057606

SCHEMBL13057606

Clc1ccc(CNc2nc(Cl)c(CC3CNc4ncccc43)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ P2RX7 Q99572 3/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ FYN P06241 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GPR39 O43194 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ CDC7 O00311 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
SCHEMBL14196940 0.81 — —
SCHEMBL12927729 0.81 NPC1 (0.32) KDM4ENPC1KMT2AMEN1
SCHEMBL12646947 0.77 KDM4E (0.48) KDM4EP2RX7DYRK1ACLK4NPC1
SCHEMBL14236101 0.77 SLC40A1 (0.31) DYRK1A
SCHEMBL12927740 0.76 CSF1R (0.40) —
SCHEMBL13976937 0.75 KDM4E (0.41) KDM4EDYRK1ACLK4GPR39
SCHEMBL12960537 0.75 P2RX7 (0.41) KDM4EP2RX7KMT2A
SCHEMBL13056389 0.73 CYP3A4 (0.45) KDM4EDYRK1ACLK4GPR39
SCHEMBL14194151 0.73 CYP3A4 (0.32) KMT2AMEN1TGFBR1
SCHEMBL12927324 0.71 GAA (0.35) P2RX7

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
US-7846941-B2 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. (US) 2010-12-07 — — US disclosed
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