SCHEMBL5224137

SCHEMBL5224137

Cc1cccnc1N1CCN(C2CC3CCC2C3)CC1.c1cc(N2CCN(C3CCC4CCC3C4)CC2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 7/20 0.42
HSD11B1 P28845 1/20 0.39
KDR P35968 6/20 0.39
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
AURKA O14965 1/20 0.35
CDK4 P11802 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
SCHEMBL3453567 0.89 HSD11B1 (0.47) AXLHSD11B1KDRKDM4EKMT2A
SCHEMBL3452912 0.83 AXL (0.45) AXLKDRKDM4EKMT2AMEN1
SCHEMBL3452933 0.83 CHKA (0.44) AXLKDRKDM4ECDK4
SCHEMBL3453508 0.75 HSD11B1 (0.46) AXLHSD11B1KDM4EKMT2APKM
SCHEMBL3453473 0.73 KMT2A (0.45) AXLKDRKDM4EKMT2AMEN1
SCHEMBL12725510 0.73 KMT2A (0.56) AXLKDRKDM4EKMT2AMEN1
SCHEMBL15759153 0.73 KMT2A (0.56) AXLKDRKDM4EKMT2AMEN1
SCHEMBL17166950 0.73 KDM4E (0.57) AXLKDRKDM4EKMT2AMEN1
SCHEMBL13698447 0.73 KDM4E (0.57) AXLKDRKDM4EKMT2AMEN1
SCHEMBL11315406 0.73 KDM4E (0.57) AXLKDRKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753429-A1 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-02-21 EP disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed