SCHEMBL27612935

SCHEMBL27612935

Nc1nc(N)c(F)c(-c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.48
DCPS Q96C86 2/20 0.47
S1PR1 P21453 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
DHFR P00374 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL27631464 0.77 IGF1R (0.56) DCPSDHFR
SCHEMBL27631996 0.76 DCPS (0.48) DCPSDHFR
SCHEMBL656838 0.75 MRGPRX4 (0.50) CTSSS1PR1MRGPRX4
SCHEMBL27631545 0.74 MPL (0.45)
SCHEMBL27631479 0.73 KIF11 (0.53)
SCHEMBL10429320 0.73 S1PR1 (0.47) CTSSS1PR1MRGPRX4S1PR4S1PR3
SCHEMBL21928805 0.72 CTSS (0.43) CTSSS1PR1MRGPRX4S1PR4S1PR3
SCHEMBL20756090 0.71 RXRA (0.54) CTSSMRGPRX4
SCHEMBL79415 0.71 RXRA (0.52) CTSSS1PR1MRGPRX4
SCHEMBL2970971 0.70 MRGPRX4 (0.45) CTSSMRGPRX4

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed