SCHEMBL10387490

SCHEMBL10387490

Sc1ncnc2c1ncn2CN1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.44
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ PI4KA P42356 2/20 0.36
▸ PI4K2B Q8TCG2 2/20 0.36
▸ PI4K2A Q9BTU6 2/20 0.36
▸ PI4KB Q9UBF8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ ADORA2B P29275 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
SCHEMBL2116000 0.74 ADORA2A (0.64) TLR7TSHRCYP1A2CYP2D6MAPK1
SCHEMBL11033550 0.72 ADORA2A (0.45) TLR7TSHRCYP1A2CYP2D6MAPK1
SCHEMBL12843984 0.72 TLR7 (0.55) TLR7POLBTSHRCYP1A2CYP2D6
SCHEMBL11269779 0.71 ADORA2A (0.66) TSHRCYP1A2CYP2D6MAPK1ADORA2A
SCHEMBL463396 0.70 NPC1 (0.52) HPGDCYP1A2CYP2D6MAPK1ADORA2A
SCHEMBL2115918 0.69 ADORA2A (0.68) TLR7TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL10387483 0.69 ADORA2A (0.45) TLR7TSHRCYP1A2CYP2D6MAPK1
SCHEMBL12775415 0.69 TLR7 (0.52) TLR7POLBTSHRCYP1A2CYP2D6
SCHEMBL12141916 0.69 TLR7 (0.52) TLR7POLBTSHRCYP1A2CYP2D6
SCHEMBL1082007 0.68 ADORA2A (0.61) TLR7TSHRALDH1A1CYP1A2CYP2D6

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
US-4975433-A DRUG DELIVERY FOR TREATING SKIN DISORDERS UNIVERSITY OF FLORIDA (US) 1990-12-04 — — US disclosed
US-4845081-A PRODRUGS, URACILS UNIVERSITY OF FLORIDA (US) 1989-07-04 — — US disclosed
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