SCHEMBL21921435

SCHEMBL21921435

C=C(CBr)Nc1cc(C#N)cc2cc[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ IMPDH1 P20839 1/20 0.38
▸ RIPK1 Q13546 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ BTK Q06187 1/20 0.31

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
SCHEMBL30087939 0.84 XDH (0.44) XDHSLC22A12IMPDH2IMPDH1RIPK1
SCHEMBL28604961 0.84 XDH (0.44) XDHSLC22A12IMPDH2IMPDH1RIPK1
SCHEMBL28601707 0.77 XDH (0.46) XDHSLC22A12IMPDH2IMPDH1RIPK1
SCHEMBL30088006 0.77 XDH (0.46) XDHSLC22A12IMPDH2IMPDH1RIPK1
SCHEMBL21920740 0.72 IMPDH2 (0.44) XDHSLC22A12IMPDH2IMPDH1RIPK1
SCHEMBL28603297 0.69 ALDH1A1 (0.40) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL30087782 0.69 ALDH1A1 (0.40) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL30087787 0.69 ALDH1A1 (0.40) XDHSLC22A12IKBKBCHUKESR1
SCHEMBL988243 0.69 IMPDH2 (0.50) XDHSLC22A12IMPDH2IMPDH1RIPK1
SCHEMBL21920738 0.69 NR3C1 (0.56) XDHSLC22A12IMPDH2IMPDH1RIPK1

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-2020061377-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-03-26 — — WO disclosed
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