SCHEMBL9921635

SCHEMBL9921635

Cc1nc2c(c(N[C@@H](C(N)=O)C(C)C)n1)SCC2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL589618 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL589616 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13437898 0.79 MEN1 (0.32) ALDH1A1KMT2A
SCHEMBL588746 0.74 CCR1 (0.39) ALDH1A1KMT2A
SCHEMBL12510502 0.63 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10266156 0.59 IL1B (0.38) ALDH1A1KMT2A
SCHEMBL2061922 0.58 SYK (0.40) SYKALDH1A1
SCHEMBL2060715 0.58 SYK (0.40) SYKALDH1A1
SCHEMBL28182535 0.56 ALDH1A1 (0.40) SYKALDH1A1KMT2A
SCHEMBL30463142 0.56 ALDH1A1 (0.40) SYKALDH1A1KMT2A

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
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP disclosed
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