SCHEMBL22121330

SCHEMBL22121330

Nc1nc2ccccc2n1CC/C=C/CCn1c(N)nc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.72
▸ POLB P06746 1/20 0.68
▸ TLR8 Q9NR97 3/20 0.64
▸ HTT P42858 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ NOD1 Q9Y239 4/20 0.54
▸ CXCL8 P10145 2/20 0.54
▸ TNF P01375 2/20 0.54
▸ NOD2 Q9HC29 2/20 0.54
▸ SOS1 Q07889 1/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NOS2 P35228 1/20 0.50

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
SCHEMBL6199065 0.87 CXCR4 (0.85) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL6196399 0.84 CXCR4 (1.00) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL7164854 0.84 CXCR4 (0.93) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL6197634 0.82 CXCR4 (0.96) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL14447553 0.82 CXCR4 (0.96) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL13801517 0.82 CXCR4 (0.77) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL22121595 0.82 HTT (0.66) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL1520381 0.81 POLB (1.00) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL11715808 0.79 CXCR4 (0.72) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL17329351 0.79 CXCR4 (0.72) CXCR4POLBTLR8HTTCYP1A2

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
Send feedback