SCHEMBL20194130

SCHEMBL20194130

CC(C)N/N=N\C(=N)c1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ MEN1 O00255 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ PBRM1 Q86U86 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ KDM4C Q9H3R0 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
SCHEMBL20194147 0.79 — —
SCHEMBL20194156 0.75 — —
SCHEMBL20194176 0.74 ALOX5 (0.36) —
SCHEMBL20194128 0.73 F2 (0.45) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20114736 0.72 PBRM1 (0.44) F2PLGPRSS1PRSS2PRSS3
SCHEMBL13450852 0.72 PRSS1 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL16016157 0.71 F2 (0.59) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194174 0.69 F2 (0.32) F2
SCHEMBL25011767 0.69 F2 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL14430274 0.67 F2 (0.63) F2PLGPRSS1PRSS2PRSS3

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-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 — — EP disclosed
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