SCHEMBL20194124

SCHEMBL20194124

CC(C)(C)C(=O)NC(=N)c1cccc(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PBRM1 Q86U86 1/20 0.45
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PTGS1 P23219 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL20194134 0.85 ALDH1A1 (0.45) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194143 0.85 ALDH1A1 (0.42) F2PLGPRSS1PRSS2PRSS3
SCHEMBL8302175 0.80 F2 (0.56) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194121 0.78 F2 (0.46) F2PLGPRSS1PRSS2PRSS3
SCHEMBL10401280 0.78 F2 (0.46) F2PLGPRSS1PRSS2PRSS3
SCHEMBL3185582 0.74 PBRM1 (0.55) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194129 0.74 F2 (0.45) F2PLGPRSS1PRSS2PRSS3
SCHEMBL2481253 0.72 F2 (0.59) F2PLGPRSS1PRSS2PRSS3
SCHEMBL20194123 0.71 ALDH1A1 (0.47) F2PLGPRSS1PRSS2PRSS3
SCHEMBL7992447 0.70 L3MBTL1 (0.38) NPC1POLBNPSR1LMNAALDH1A1

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