SCHEMBL2457036

SCHEMBL2457036

Cc1nc(C)c(C(C=O)N2Cc3ncnc(Nc4cnc5ccccc5c4)c3C2)s1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
FAAH O00519 9/20 0.38
ALPL P05186 5/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
IGF1R P08069 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
RAB9A P51151 2/20 0.33
OGA O60502 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2463735 0.80 FAAH (0.43) TNFFAAHALPLKDM4EALDH1A1
SCHEMBL2455656 0.79 FAAH (0.46) TNFFAAHALPLKDM4EALDH1A1
SCHEMBL2459586 0.78 FAAH (0.47) TNFFAAHALPLKDM4EALDH1A1
SCHEMBL2456828 0.77 NPC1 (0.43) TNFFAAHKDM4ETRPV1RAB9A
SCHEMBL2461598 0.77 FAAH (0.44) TNFFAAHKDM4EALDH1A1IGF1R
SCHEMBL2461026 0.77 FAAH (0.44) TNFFAAHKDM4EALDH1A1IGF1R
SCHEMBL2536956 0.77 FAAH (0.43) TNFFAAHALPLKDM4EALDH1A1
SCHEMBL2454968 0.77 TNF (0.42) TNFFAAHKDM4EALDH1A1RAB9A
SCHEMBL2456994 0.77 FAAH (0.44) TNFFAAHALPLKDM4EALDH1A1
SCHEMBL2463768 0.76 FAAH (0.43) TNFFAAHKDM4EALDH1A1IGF1R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP claimed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO claimed
EP-2364316-A1 6, 7 -dihydro- 5h- pyrrolo [3, 4-d¨pyrimidin-4-yl]-quinolin-3 -ylamine compounds useful as FAAH modulators and uses thereof Renovis, Inc. (US) 2011-09-14 EP disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 WO disclosed